SCHEMBL437046

SCHEMBL437046

CC(C)(C)NC(CO)CO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CNR1 P21554 1/20 0.38
ADRA1A P35348 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCC3 O15438 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.32
ADRB2 P07550 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10245268 0.86 LMNA (0.50) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL6209009 0.86 LMNA (0.50) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL6209012 0.86 LMNA (0.50) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL10245473 0.82 TSHR (0.39) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL10246425 0.82 TSHR (0.39) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL23961591 0.82 TSHR (0.36) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL7750990 0.82 TSHR (0.36) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL13761806 0.82 TSHR (0.36) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL10246446 0.82 TSHR (0.39) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL14266749 0.82 LMNA (0.36) LMNATDP1CNR1ADRA1AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986158-A Substituted biphenyl compound, preparation method and application 云南大学 2024-05-07 CN disclosed
US-11773065-B2 Heterocyclic g-protein-coupled receptor 52 (GPR52) agonists BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-10-03 US disclosed
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-20 US disclosed
CN-111757935-A Bivalent nucleic acid ligand and use thereof 卡耐基梅隆大学 2020-10-09 CN disclosed
US-10676467-B2 Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof WASHINGTON UNIVERSITY (US) 2020-06-09 US disclosed
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-03-03 US disclosed
US-10487068-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2019-11-26 US disclosed
US-10314816-B2 Antimicrobial compounds, compositions and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-11 US disclosed
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-05-30 US disclosed
US-10220026-B2 Micelle containing epirubicin-complexed block copolymer and anti-cancer agent, and pharmaceutical composition containing said micelle applicable to treatment of cancer, resistant cancer or metastatic cancer THE UNIVERSITY OF TOKYO (JP) 2019-03-05 US disclosed
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES ASTRAZENECA AB (SE) 2012-08-23 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20080275073-A1 CRYSTALLINE FORMS AND POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS PHARMACEUTICALLY ACCEPTABLE SALTS WYETH (US) 2008-11-06 US disclosed
US-20080262008-A1 useful for inhibiting protein kinase activity; heating an amount of one crystalline polymorph of the compound of formula I as the pharmaceutically acceptable salt to a temperature that converts it to a different crystalline polymorph WYETH (US) 2008-10-23 US disclosed
US-20080262009-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS ACETATE SALTS WYETH (US) 2008-10-23 US disclosed
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS WYETH (US) 2008-10-23 US disclosed
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS WYETH (US) 2008-10-23 US disclosed
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs WYETH (US) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10487068-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA LMNA 1681/4885TDP1 4641/4885CNR1 31/4885
US-20080275073-A1 CRYSTALLINE FORMS AND POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS PHARMACEUTICALLY ACCEPTABLE SALTS ABCG2, CYP3A43, CYP2D6 LMNA 2475/4885TDP1 1847/4885CNR1 1119/4885
US-10314816-B2 Antimicrobial compounds, compositions and methods of use thereof CLPP, ATP5ME, PCNA LMNA 2044/4885TDP1 3579/4885CNR1 4123/4885
US-20080262009-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS ACETATE SALTS CYP2F1, CYP4B1, CYP3A4 LMNA 539/4885TDP1 3015/4885CNR1 1803/4885
US-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE LTB4R, LTC4S, LTA4H LMNA 3805/4885TDP1 1733/4885CNR1 895/4885
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF CYP3A7, CYP2A7, CYP2J2 LMNA 1942/4885TDP1 3017/4885CNR1 33/4885
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 LMNA 2527/4885TDP1 3955/4885CNR1 411/4885
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 LMNA 4150/4885TDP1 1225/4885CNR1 1479/4885
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS GALE, UGGT1, UGT1A3 LMNA 1273/4885TDP1 2448/4885CNR1 1824/4885
US-10676467-B2 Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof S1PR1, S1PR2, S1PR3 LMNA 1365/4885TDP1 928/4885CNR1 57/4885
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 LMNA 3168/4885TDP1 4011/4885CNR1 100/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 LMNA 2390/4885TDP1 3381/4885CNR1 38/4885
US-10220026-B2 Micelle containing epirubicin-complexed block copolymer and anti-cancer agent, and pharmaceutical composition containing said micelle applicable to treatment of cancer, resistant cancer or metastatic cancer ABCC1, ABCB1, TOP2A LMNA 1646/4885TDP1 2662/4885CNR1 3121/4885
US-11773065-B2 Heterocyclic g-protein-coupled receptor 52 (GPR52) agonists GPR52, GPR68, GPR65 LMNA 4441/4885TDP1 4390/4885CNR1 48/4885
US-20080262008-A1 useful for inhibiting protein kinase activity; heating an amount of one crystalline polymorph of the compound of formula I as the pharmaceutically acceptable salt to a temperature that converts it to a different crystalline polymorph CSNK1A1, PRKX, PRKACA LMNA 2484/4885TDP1 1171/4885CNR1 3701/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.