Sugi Predict

Sugi Predict / Compounds / SCHEMBL1829807

SCHEMBL1829807

SCHEMBL1829807

C1CCCC2(CC1)CCNC2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ SOS1 Q07889 1/20 0.34
▸ SOS2 Q07890 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.32
▸ CYP3A4 P08684 4/20 0.32
▸ CYP2D6 P10635 4/20 0.32
▸ USP2 O75604 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ HTR2A P28223 1/20 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
SCHEMBL1372723 1.00 TSHR (0.38) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL27414429 1.00 TSHR (0.38) TSHRSOS1SOS2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8741359 0.97 TSHR (0.41) TSHRSOS1SOS2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1372820 0.97 TSHR (0.41) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL28024 0.97 — —
SCHEMBL1794983 0.91 — —
SCHEMBL5438837 0.89 ALDH1A1 (0.40) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL17609103 0.88 ALDH1A1 (0.44) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL1829577 0.88 ALDH1A1 (0.40) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL11013028 0.88 ALDH1A1 (0.44) TSHRSOS1SOS2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 — — WO disclosed
WO-2024037527-A1 BTK DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-02-22 — — WO disclosed
WO-2023193789-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2023-10-12 — — WO disclosed
WO-2023105303-A1 COMPOUNDS FOR THE TREATMENT OF CANCER KASHIV BIOSCIENCES, LLC (US) 2023-06-15 — — WO disclosed
EP-4147700-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES FOR USE IN THE TREATMENT OF SICKLE CELL DISEASE LQT Therapeutics Inc. (CA) 2023-03-15 — — EP disclosed
EP-3756666-A1 NICOTINAMIDE COMPOUND FOR USE IN THE TREATMENT OF CANCER Oncotartis Inc. (US) 2020-12-30 — — EP disclosed
US-20190010139-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-01-10 — — US disclosed
EP-3331868-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-06-13 — — EP disclosed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 — — US disclosed
WO-2017025864-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-02-16 — — WO disclosed
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 — — US disclosed
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 — — US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 — — WO disclosed
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-01-28 — — US disclosed
EP-2970259-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-01-20 — — EP disclosed
WO-2015103583-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-09 — — WO disclosed
WO-2014140065-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-09-18 — — WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 — — US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 — — EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 — — WO 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 (5 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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 TSHR 4614/4885SOS1 2842/4885SOS2 2294/4885
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 TSHR 1746/4885SOS1 996/4885SOS2 1677/4885
US-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 TSHR 4815/4885SOS1 2357/4885SOS2 3668/4885
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885SOS1 3705/4885SOS2 2154/4885
US-20190010139-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GAR1, RFC1, POLR1E TSHR 2262/4885SOS1 3598/4885SOS2 4622/4885

“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.