SCHEMBL5016715

SCHEMBL5016715

CCCc1cn(CC(=O)OC(C)(C)C)c2cc(OCCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.48
PPARA Q07869 11/20 0.48
PPARG P37231 7/20 0.47
PTPN1 P18031 5/20 0.46
FFAR1 O14842 3/20 0.43

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
SCHEMBL5017206 0.92 PPARD (0.53) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5015481 0.91 PPARD (0.49) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5015418 0.90 PTPN1 (0.50) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5017439 0.85 PPARD (0.50) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5017185 0.83 PPARD (0.58) PPARDPPARAPPARGFFAR1
SCHEMBL5015489 0.82 PPARD (0.55) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5017197 0.82 PPARD (0.56) PPARDPPARAPPARGFFAR1
SCHEMBL5017515 0.81 PPARD (0.49) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5015464 0.81 PTPN1 (0.54) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL6052634 0.78 PPARD (0.52) PPARDPPARAPPARGPTPN1FFAR1

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.