SCHEMBL5017204

SCHEMBL5017204

Cc1nc(-c2ccccc2)sc1CCOc1ccc2ccn(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.48
PPARD Q03181 8/20 0.44
FFAR1 O14842 4/20 0.43
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
MCL1 Q07820 4/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5023852 0.90 PPARD (0.53) PTPN1PPARDFFAR1PPARAPPARG
SCHEMBL5017439 0.90 PPARD (0.50) PTPN1PPARDFFAR1PPARAPPARG
SCHEMBL5017228 0.90 PTPN1 (0.46) PTPN1PPARDPPARAPPARGMCL1
SCHEMBL5017203 0.90 PPARA (0.48) PTPN1PPARDFFAR1PPARAPPARG
SCHEMBL5017510 0.89 PPARG (0.49) PPARDPPARAPPARGMCL1
SCHEMBL5017515 0.86 PPARD (0.49) PTPN1PPARDFFAR1PPARAPPARG
SCHEMBL5016731 0.82 PPARA (0.41) PPARDFFAR1PPARAPPARGMCL1
SCHEMBL5015457 0.82 PPARD (0.51) PTPN1PPARDFFAR1PPARAPPARG
SCHEMBL5017471 0.82 PPARD (0.56) PTPN1PPARDFFAR1PPARAPPARG
SCHEMBL5017199 0.82 PPARD (0.53) PTPN1PPARDFFAR1PPARAPPARG

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 3 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
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 PTPN1 1169/4885PPARD 1/4885FFAR1 24/4885

“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.