Sugi Predict

Sugi Predict / Compounds / SCHEMBL3612973

SCHEMBL3612973

SCHEMBL3612973

COc1cc(F)cc(C(=O)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ CES2 O00748 2/20 0.40
▸ CES1 P23141 2/20 0.40
▸ MAOA P21397 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL31026223 1.00 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL3361585 0.86 CES2 (0.47) ALDH1A1KDM4ECES2CES1ABCG2
SCHEMBL24155 0.86 ALDH1A1 (0.52) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL573257 0.82 HCAR1 (0.53) NPC1RAB9AALDH1A1KDM4E
SCHEMBL1765000 0.82 LMNA (0.47) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL30816535 0.82 HCAR1 (0.53) NPC1RAB9AALDH1A1KDM4E
SCHEMBL23360890 0.81 PARP1 (0.55) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL31521762 0.81 CA1 (0.52) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL17462467 0.81 CA1 (0.52) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL29826907 0.81 PARP1 (0.55) NPC1RAB9AALDH1A1KDM4ECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496495-B Preparation method and application of comb-type polyether modified siloxane polymer 烟台云泷化学制品有限公司 2024-09-13 — — CN claimed
CN-118496495-A Preparation method and application of comb-type polyether modified siloxane polymer 烟台云泷化学制品有限公司 2024-08-16 — — CN claimed
CN-118496495-B Preparation method and application of comb-type polyether modified siloxane polymer 烟台云泷化学制品有限公司 2024-09-13 — — CN disclosed
CN-118496495-A Preparation method and application of comb-type polyether modified siloxane polymer 烟台云泷化学制品有限公司 2024-08-16 — — CN disclosed
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 — — US disclosed
EP-4347607-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2024-04-10 — — EP disclosed
CN-117843521-A Compound serving as thyroid hormone beta receptor agonist as well as preparation method and application thereof 中国药科大学 2024-04-09 — — CN disclosed
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 — — CN disclosed
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 — — US disclosed
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 — — WO disclosed
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 — — EP disclosed
EP-2004654-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2013-05-22 — — EP disclosed
EP-2551270-A2 PYRAZOLOPYRMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS The Regents of The University of California (US) 2013-01-30 — — EP disclosed
US-20110301144-A1 Kinase Antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 — — US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 — — US disclosed
CN-101506211-A Kinase antagonists UNIV CALIFORNIA (US) 2009-08-12 — — CN disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 — — EP disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 — — US disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 — — 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA NPC1 883/4885RAB9A 1456/4885ALDH1A1 4725/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 NPC1 3080/4885RAB9A 1096/4885ALDH1A1 4833/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 NPC1 3080/4885RAB9A 1096/4885ALDH1A1 4833/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 NPC1 3080/4885RAB9A 1096/4885ALDH1A1 4833/4885
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL NPC1 3502/4885RAB9A 1980/4885ALDH1A1 2794/4885

“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.