SCHEMBL5017176

SCHEMBL5017176

Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CO

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.57
PPARA Q07869 7/20 0.57
PPARG P37231 6/20 0.57
MAPT P10636 4/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KIF11 P52732 5/20 0.50
LMNA P02545 1/20 0.45
TP53 P04637 3/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
FFAR1 O14842 1/20 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
SCHEMBL21879813 0.87 PPARD (0.54) PPARDPPARAPPARGMAPTMEN1
SCHEMBL24238966 0.85 PPARD (0.60) PPARDPPARAPPARGMAPTMEN1
SCHEMBL10207172 0.81 PPARD (0.52) PPARDPPARAPPARGMAPTMEN1
SCHEMBL21946955 0.81 PPARD (0.69) PPARDPPARAPPARGMAPTMEN1
SCHEMBL1508353 0.79 NPC1 (0.58) PPARDPPARAPPARGMAPTMEN1
SCHEMBL3371249 0.78 MAPT (0.48) PPARDMAPTMEN1ALDH1A1KMT2A
SCHEMBL16147339 0.78 PPARD (0.71) PPARDPPARAPPARGMAPTMEN1
SCHEMBL14017894 0.78 RAB9A (0.56) PPARDPPARAPPARGMAPTMEN1
SCHEMBL14017900 0.78 PPARD (0.47) PPARDPPARAPPARGMAPTMEN1
SCHEMBL5017492 0.77 TP53 (0.38) PPARDPPARAPPARGMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1816550-B Indolyl derivatives substituted with a thiazole ring and their use as PPAR modulators HOFFMANN LA ROCHE 2010-04-28 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
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.