SCHEMBL5017228

SCHEMBL5017228

Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1CCOc1ccc2ccn(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.46
PPARA Q07869 11/20 0.44
PPARD Q03181 11/20 0.44
PPARG P37231 7/20 0.44
MCL1 Q07820 1/20 0.42
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5017439 0.92 PPARD (0.50) PTPN1PPARAPPARDPPARG
SCHEMBL5015457 0.91 PPARD (0.51) PTPN1PPARAPPARDPPARGMCL1
SCHEMBL5017204 0.90 PTPN1 (0.48) PTPN1PPARAPPARDPPARGMCL1
SCHEMBL5017515 0.88 PPARD (0.49) PTPN1PPARAPPARDPPARG
SCHEMBL5017203 0.87 PPARA (0.48) PTPN1PPARAPPARDPPARGMAPT
SCHEMBL5015490 0.84 PPARD (0.57) PPARAPPARDPPARG
SCHEMBL5017471 0.83 PPARD (0.56) PTPN1PPARAPPARDPPARG
SCHEMBL5016723 0.81 PPARA (0.44) PPARAPPARDPPARGMCL1
SCHEMBL5023852 0.80 PPARD (0.53) PTPN1PPARAPPARDPPARGMCL1
SCHEMBL5017509 0.79 PPARD (0.58) PPARAPPARDPPARGMAPT

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 1169/4885PPARA 2/4885PPARD 1/4885

“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.