SCHEMBL2002005

SCHEMBL2002005

COC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.69
CES2 O00748 2/20 0.66
NOTUM Q6P988 2/20 0.49
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL17708165 0.90 CFTR (0.56) CFTRCES2NOTUMFLT1FLT4
SCHEMBL19136619 0.87 CFTR (0.54) CFTRCES2NOTUMFLT1FLT4
SCHEMBL8609836 0.86 CFTR (0.57) CFTRCES2NOTUMFLT1FLT4
SCHEMBL1995951 0.86 CES2 (0.71) CFTRCES2NOTUMKDM4EALDH1A1
SCHEMBL22263091 0.86 CFTR (0.73) CFTRCES2NOTUMKDM4EALDH1A1
SCHEMBL167426 0.84 CFTR (0.71) CFTRCES2NOTUMKDM4EALDH1A1
SCHEMBL10861732 0.83 NOTUM (0.64) CFTRNOTUMKDM4EALDH1A1HPGD
SCHEMBL694388 0.83 CFTR (0.69) CFTRCES2NOTUMKDM4EALDH1A1
SCHEMBL13948877 0.83 CFTR (0.51) CFTRCES2NOTUMKDM4EALDH1A1
SCHEMBL695717 0.83 CFTR (0.51) CFTRCES2NOTUMKDM4EALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
WO-2023101256-A1 5-ALPHA-REDUCTASE INHIBITOR, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 주식회사 팜어스바이오사이언스 2023-06-08 WO disclosed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US disclosed
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
US-20110172336-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2011-07-14 US disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 EP disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
EP-1841727-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-10 EP disclosed
EP-1838663-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-03 EP disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067417-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
EP-0491326-A2 Process for the functionalization of trifluoromethylbenzenes ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1992-06-24 EP disclosed
US-3995044-A Pyridine carboxylic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1976-11-30 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 (2 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-20090270510-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 CFTR 2214/4885CES2 1465/4885NOTUM 1121/4885
US-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 CFTR 2207/4885CES2 1353/4885NOTUM 1087/4885

“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.