SCHEMBL2012586

SCHEMBL2012586

Nc1ccc(C(F)(F)F)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
TSHR P16473 3/20 0.56
POLB P06746 2/20 0.56
GLA P06280 1/20 0.56
KIF11 P52732 3/20 0.47
CASP1 P29466 3/20 0.46
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
ESR2 Q92731 1/20 0.42
PTPN1 P18031 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE10A Q9Y233 1/20 0.41
HSD17B10 Q99714 3/20 0.41
AR P10275 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
CASP7 P55210 2/20 0.41

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
SCHEMBL29585248 1.00 GAA (0.56) GAATSHRPOLBGLAKIF11
SCHEMBL551067 0.82 TSHR (0.61) GAATSHRPOLBGLAKIF11
SCHEMBL29549724 0.82 TSHR (0.61) GAATSHRPOLBGLAKIF11
SCHEMBL9904797 0.79 TSHR (0.41) GAATSHRPOLBGLAKIF11
SCHEMBL29420085 0.78 TSHR (0.70) GAATSHRPOLBGLAKIF11
SCHEMBL827884 0.78 TSHR (0.70) GAATSHRPOLBGLAKIF11
SCHEMBL396982 0.77 ALDH1A1 (0.54) GAATSHRPOLBCASP1KDM4E
SCHEMBL22749425 0.77 CASP1 (0.52) GAATSHRPOLBGLACASP1
SCHEMBL29937844 0.77 CASP1 (0.52) GAATSHRPOLBGLACASP1
SCHEMBL5685394 0.77 TSHR (0.60) GAATSHRPOLBGLACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
EP-2382197-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2016-10-05 EP disclosed
EP-2382197-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2016-10-05 EP disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-01 US disclosed
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-01 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
US-20070203133-A1 Substituted 5,12-diaza-benzoanthracene analogues NEUROGEN CORPORATION (US) 2007-08-30 US disclosed
CN-1953979-A Substituted 5, 12-diaza-benzoanthracene analogues NEUROGEN CORP (US) 2007-04-25 CN disclosed
WO-2004043368-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed
WO-2004043948-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed
WO-2004043369-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed
WO-2004043366-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 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 (4 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-20070203133-A1 Substituted 5,12-diaza-benzoanthracene analogues GPR52, SUCNR1, MC1R GAA 879/4885TSHR 104/4885POLB 3950/4885
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 GAA 834/4885TSHR 1745/4885POLB 3001/4885
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD GAA 2221/4885TSHR 391/4885POLB 992/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD GAA 3930/4885TSHR 142/4885POLB 2032/4885

“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.