SCHEMBL5015448

SCHEMBL5015448

CC(C)(C)OC(=O)Cn1ccc2ccc(OCc3cnc(-c4ccc(C(F)(F)F)cc4)s3)cc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.48
PPARA Q07869 11/20 0.48
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PPARG P37231 5/20 0.40
FFAR1 O14842 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.39
MCL1 Q07820 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
SCHEMBL5015484 0.90 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL5015490 0.86 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL5015463 0.86 PPARD (0.47) PPARDPPARAPPARGFFAR1
SCHEMBL5016723 0.82 PPARA (0.44) PPARDPPARAPPARGMCL1
SCHEMBL5016817 0.81 PPARD (0.48) PPARDPPARAGRIN1GRIN2BPPARG
SCHEMBL5017439 0.81 PPARD (0.50) PPARDPPARAPPARGFFAR1
SCHEMBL5017515 0.80 PPARD (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL5017418 0.80 TP53 (0.46) PPARDPPARAPPARGMCL1
SCHEMBL6030017 0.80 PPARD (0.47) PPARDPPARAGRIN1GRIN2BPPARG
SCHEMBL5015450 0.79 PPARD (0.41) PPARDPPARAPPARGFFAR1

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 PPARD 1/4885PPARA 2/4885GRIN1 2227/4885

“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.