SCHEMBL396792

SCHEMBL396792

Nc1ccccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
GPR3 P46089 1/20 0.44
KIF11 P52732 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 1/20 0.42
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
ADORA2A P29274 1/20 0.41
NISCH Q9Y2I1 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GRIN2B Q13224 3/20 0.39
SCN5A Q14524 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
SERPINE1 P05121 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
SCHEMBL17840231 0.86 GPR3 (0.50) GPR3KIF11FFAR4FFAR1NISCH
SCHEMBL399198 0.81 ADORA1 (0.53) ALDH1A1HSD17B10GPR3KIF11ADORA2A
SCHEMBL16925983 0.79 GPR3 (0.45) ALDH1A1GPR3KIF11L3MBTL1FFAR4
SCHEMBL16099410 0.79 GPR3 (0.49) ALDH1A1HSD17B10GPR3KIF11ADORA2A
SCHEMBL8823578 0.79 METAP2 (0.48) ALDH1A1HSD17B10GPR3KIF11FFAR4
SCHEMBL29601178 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10GPR3KIF11L3MBTL1
SCHEMBL1270983 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10L3MBTL1
SCHEMBL15756982 0.78 GPR3 (0.44) GPR3KIF11FFAR4FFAR1NISCH
SCHEMBL5535234 0.78 GPR3 (0.44) GPR3KIF11FFAR4FFAR1NISCH
SCHEMBL17454635 0.78 GPR3 (0.44) GPR3KIF11FFAR4FFAR1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109693-A1 BUTENOLIDE COMPOUNDS CONTAINING THIAZOLIDINONE STRUCTURE AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF UNIV CHINA AGRICULTURAL (CN) 2026-04-23 US disclosed
WO-2024198335-A1 BUTENOLIDE COMPOUNDS CONTAINING THIAZOLIDINONE STRUCTURE AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 中国农业大学 2024-10-03 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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 (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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885GPR3 1330/4885
US-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 ALDH1A1 397/4885HSD17B10 1144/4885GPR3 3224/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885GPR3 1330/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885GPR3 1330/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 ALDH1A1 397/4885HSD17B10 1144/4885GPR3 3224/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885GPR3 1330/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885HSD17B10 1678/4885GPR3 795/4885
US-20260109693-A1 BUTENOLIDE COMPOUNDS CONTAINING THIAZOLIDINONE STRUCTURE AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F12, CYP4F11 ALDH1A1 484/4885HSD17B10 103/4885GPR3 1815/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885HSD17B10 1602/4885GPR3 561/4885

“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.