SCHEMBL1549927

SCHEMBL1549927

OCc1cnc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
HDAC1 Q13547 4/20 0.42
KDM1A O60341 3/20 0.42
TOP1 P11387 2/20 0.40
MAOB P27338 1/20 0.40
FAAH O00519 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PPARA Q07869 1/20 0.37
KIF11 P52732 3/20 0.37
MAP4K4 O95819 1/20 0.36
TGFBR1 P36897 1/20 0.36
NOTUM Q6P988 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL1549277 0.85 IDO1 (0.40) IDO1TDO2HDAC1KDM1ATOP1
SCHEMBL1550503 0.83 SCN5A (0.44) FAAHALOX5APFEN1
SCHEMBL1549179 0.76 FEN1 (0.46) IDO1TDO2HDAC1KDM1ATOP1
SCHEMBL1549536 0.76 KDM1A (0.42) IDO1TDO2KDM1ATOP1MAOB
SCHEMBL1549624 0.75 ALOX5AP (0.47) IDO1TDO2HDAC1KDM1AALOX5AP
SCHEMBL1549725 0.73 PPARA (0.50) IDO1TDO2HDAC1KDM1AMAOB
SCHEMBL30633001 0.73 PPARA (0.50) IDO1TDO2HDAC1KDM1AMAOB
SCHEMBL2562511 0.73 TDO2 (0.46) IDO1TDO2HDAC1KDM1ATOP1
SCHEMBL1993639 0.73 CES2 (0.52) IDO1
SCHEMBL4768871 0.72 HDAC1 (0.49) IDO1TDO2HDAC1KDM1ATOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1875002-B Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE 2011-08-03 CN disclosed
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
CN-100509802-C Heteroaryl deravatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
CN-1878768-A heteroaryl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
CN-1875002-A Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG IDO1 3200/4885TDO2 3533/4885HDAC1 1082/4885
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG IDO1 321/4885TDO2 1001/4885HDAC1 1602/4885

“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.