SCHEMBL5017203

SCHEMBL5017203

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1CCOc1ccc2ccn(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
PPARD Q03181 8/20 0.48
PPARG P37231 6/20 0.48
PTPN1 P18031 4/20 0.47
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
LMNA P02545 1/20 0.39
FFAR1 O14842 1/20 0.39

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 0.91 PPARD (0.50) PPARAPPARDPPARGPTPN1FFAR1
SCHEMBL5017199 0.91 PPARD (0.53) PPARAPPARDPPARGPTPN1ALDH1A1
SCHEMBL5017204 0.90 PTPN1 (0.48) PPARAPPARDPPARGPTPN1MAPT
SCHEMBL5017515 0.88 PPARD (0.49) PPARAPPARDPPARGPTPN1FFAR1
SCHEMBL5017228 0.87 PTPN1 (0.46) PPARAPPARDPPARGPTPN1MAPT
SCHEMBL5015490 0.83 PPARD (0.57) PPARAPPARDPPARGFFAR1
SCHEMBL5017471 0.82 PPARD (0.56) PPARAPPARDPPARGPTPN1FFAR1
SCHEMBL5016723 0.81 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL5023852 0.80 PPARD (0.53) PPARAPPARDPPARGPTPN1FFAR1
SCHEMBL5017192 0.79 PPARD (0.45) PPARAPPARDPPARGPTPN1MAPT

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 PPARA 2/4885PPARD 1/4885PPARG 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.