SCHEMBL5015451

SCHEMBL5015451

CCOC(=O)CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.59
PPARA Q07869 10/20 0.59
PPARG P37231 8/20 0.59
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CRHBP P24387 1/20 0.57
KMT2A Q03164 1/20 0.57
CRHR2 Q13324 1/20 0.57
FFAR1 O14842 6/20 0.56
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL14573031 0.88 PPARD (0.63) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL23028635 0.82 PPARD (0.62) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL14573029 0.81 PPARD (0.63) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL13241455 0.81 MAPT (0.58) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL4679559 0.80 PPARD (0.66) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL14573042 0.80 PPARD (0.81) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL4736177 0.80 PPARD (0.53) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL4674166 0.80 PPARD (0.53) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL27657102 0.80 PPARD (0.66) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL3374725 0.80 MAPT (0.60) PPARDPPARAPPARGMAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885PPARG 3/4885

“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.