SCHEMBL3374725

SCHEMBL3374725

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCO

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
PPARD Q03181 10/20 0.58
PPARA Q07869 9/20 0.58
PPARG P37231 7/20 0.58
FFAR1 O14842 7/20 0.56
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
SRC P12931 1/20 0.51
ZAP70 P43403 1/20 0.51
SYK P43405 1/20 0.51

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
SCHEMBL5016720 0.92 MAPT (0.57) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL1508353 0.88 NPC1 (0.58) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL13241455 0.87 MAPT (0.58) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL5691166 0.86 MAPT (0.60) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL27651049 0.86 MAPT (0.57) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL3372790 0.84 ALDH1A1 (0.60) MAPTPPARDPPARAPPARGNPC1
SCHEMBL11926060 0.84 NPC1 (0.56) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL5015456 0.82 NPC1 (0.54) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL977726 0.82 MAPT (0.59) MAPTPPARDPPARAPPARGFFAR1
SCHEMBL3822273 0.82 NPC1 (0.58) MAPTPPARDPPARAPPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
CN-1816550-B Indolyl derivatives substituted with a thiazole ring and their use as PPAR modulators HOFFMANN LA ROCHE 2010-04-28 CN disclosed
CN-100475810-C Novel 2-arylthiazole compounds as pparalpha and ppargamma agonists HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
EP-1644368-B1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
US-7235572-B2 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
CN-1816550-A Indolyl derivatives substituted with a thiazole ring and their use as ppar modulators HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
EP-1644368-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
CN-1678596-A Novel 2-arylthiazole compounds as PPAR alpha and PPAR gamma agonists HOFFMANN LA ROCHE (CH) 2005-10-05 CN disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 US disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO 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-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR MAPT 4327/4885PPARD 79/4885PPARA 287/4885
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG MAPT 3099/4885PPARD 1/4885PPARA 2/4885

“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.