SCHEMBL1526052

SCHEMBL1526052

COc1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ACHE P22303 1/20 0.50
GRIN2B Q13224 1/20 0.49
CYP3A4 P08684 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CHRM5 P08912 1/20 0.48
DYRK1A Q13627 1/20 0.48
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCR6 P51684 1/20 0.46
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45

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
SCHEMBL6343518 0.92 NPC1 (0.51) NPC1RAB9AACHEGRIN2BCYP3A4
SCHEMBL2497224 0.89 NPC1 (0.49) NPC1RAB9AACHEGRIN2BCHRM5
SCHEMBL3147185 0.89 GPR3 (0.50)
SCHEMBL3128057 0.85 ACHE (0.48) NPC1RAB9AACHECYP3A4CA1
SCHEMBL15865413 0.83 ACHE (0.47) NPC1RAB9AACHECYP3A4CA1
SCHEMBL6764359 0.83 KCNH2 (0.44) NPC1RAB9AKCNH2
SCHEMBL10300047 0.82 FFAR1 (0.58) NPC1RAB9ACA1CA2CA9
SCHEMBL6247148 0.82 CETP (0.52) ACHECYP3A4CA1CA2CA7
SCHEMBL1048346 0.81 ALDH1A1 (0.58) NPC1RAB9AGRIN2BCYP3A4CA1
SCHEMBL30996181 0.81 ABL1 (0.61) NPC1RAB9ACYP3A4ALDH1A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252595-A1 OXIM DERIVATIVES AS HSP90 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP claimed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US claimed
WO-2009097578-A1 OXIM DERIVATIVES AS HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-06 WO claimed
US-20260088362-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, AND SECONDARY BATTERY MURATA MANUFACTURING CO (JP) 2026-03-26 US disclosed
US-20250145637-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2025-05-08 US disclosed
WO-2025013623-A1 ELECTROLYTE SOLUTION FOR SECONDARY BATTERIES, AND SECONDARY BATTERY 株式会社村田製作所 2025-01-16 WO disclosed
EP-4385989-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
CN-117597341-A Sulfonamide derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-02-23 CN disclosed
WO-2023016484-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-02-16 WO disclosed
WO-2023016484-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-02-16 WO disclosed
US-11185514-B2 Aqueous solution comprising a polyphenol OPTERION HEALTH AG (CH) 2021-11-30 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 WO disclosed
WO-2005023806-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-03-17 WO disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 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 (8 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-11185514-B2 Aqueous solution comprising a polyphenol SORD, SI, AQP1 NPC1 971/4885RAB9A 3532/4885ACHE 1613/4885
US-20090305998-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 NPC1 1564/4885RAB9A 2651/4885ACHE 4845/4885
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D NPC1 849/4885RAB9A 3345/4885ACHE 4638/4885
US-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH NPC1 3108/4885RAB9A 1998/4885ACHE 895/4885
US-20260088362-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, AND SECONDARY BATTERY HCN2, HCN1, PEF1 NPC1 2096/4885RAB9A 1052/4885ACHE 1468/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A NPC1 1376/4885RAB9A 3249/4885ACHE 4709/4885
US-20250145637-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SULT2A1, KAT8, TST NPC1 1728/4885RAB9A 4140/4885ACHE 1094/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 NPC1 3418/4885RAB9A 1437/4885ACHE 798/4885

“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.