SCHEMBL757885

SCHEMBL757885

COC(=O)CNC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.50
RECQL P46063 1/20 0.48
TSHR P16473 5/20 0.46
HSD17B10 Q99714 2/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BIRC2 Q13490 1/20 0.39
KDM4E B2RXH2 1/20 0.38
EPHX2 P34913 1/20 0.38
DPP4 P27487 1/20 0.36
SLC2A1 P11166 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
Hydrochloric Acid SCHEMBL344744 0.97 TET2 (0.48) TET2RECQLTSHRHSD17B10GAA
SCHEMBL16532927 0.80 TET2 (0.46) TET2RECQLTSHRHSD17B10GAA
SCHEMBL21129653 0.80 TET2 (0.46) TET2RECQLTSHRHSD17B10GAA
SCHEMBL756932 0.80 CA2 (0.39) GAACA12CA2CA14DPP4
SCHEMBL6558483 0.80 DPP4 (0.34) TET2RECQLTSHRGAAMGAM
SCHEMBL15621164 0.78 TET2 (0.45) TET2RECQLTSHRHSD17B10GAA
SCHEMBL1091517 0.78 GAA (0.54) TSHRHSD17B10GAAMGAMSI
SCHEMBL17125010 0.78 TET2 (0.45) TET2RECQLTSHRHSD17B10GAA
SCHEMBL17125032 0.78 TET2 (0.45) TET2RECQLTSHRHSD17B10GAA
SCHEMBL3267023 0.77 TET2 (0.43) TET2RECQLTSHRHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-11091511-B2 Panaxdiol-type ginsenoside derivative, preparation method therefor and use thereof ARMY MEDICAL UNIVERSITY (CN) 2021-08-17 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20190307776-A1 AZA-SUBSTITUTED INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2019-10-10 US disclosed
US-20190256549-A1 PANAXDIOL-TYPE GINSENOSIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ARMY MEDICAL UNIVERSITY (CN) 2019-08-22 US disclosed
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-19 US disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-10-26 US disclosed
WO-2003064456-A1 TRIPEPTIDES HAVING A HYDROXYPROLINE ETHER OF A SUBSTITUTED QUINOLINE FOR THE INHIBITION OF NS3 (HEPATITIS C) BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-08-07 WO disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
EP-0920414-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1999-06-09 EP disclosed
WO-1997049674-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO disclosed
US-5438035-A Herbicides AMERICAN CYANAMID COMPANY (US) 1995-08-01 US disclosed
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP 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 (9 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 TET2 4445/4885RECQL 2556/4885TSHR 4576/4885
US-20190256549-A1 PANAXDIOL-TYPE GINSENOSIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF LDLR, NR1H2, TNF TET2 1314/4885RECQL 3092/4885TSHR 4585/4885
US-20190307776-A1 AZA-SUBSTITUTED INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CYP51A1, TYMP, TYMS TET2 229/4885RECQL 1223/4885TSHR 4673/4885
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase CCR8, CDK8, CHD8 TET2 1677/4885RECQL 2546/4885TSHR 310/4885
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 TET2 1677/4885RECQL 2546/4885TSHR 310/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 TET2 4777/4885RECQL 1156/4885TSHR 4206/4885
US-11091511-B2 Panaxdiol-type ginsenoside derivative, preparation method therefor and use thereof TNF, NR1H2, LDLR TET2 1454/4885RECQL 2925/4885TSHR 4552/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 TET2 4369/4885RECQL 1871/4885TSHR 3550/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 TET2 4369/4885RECQL 1871/4885TSHR 3550/4885

“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.