SCHEMBL6421729

SCHEMBL6421729

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCOc1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.62
PPARA Q07869 11/20 0.62
PPARG P37231 6/20 0.56
FFAR1 O14842 3/20 0.53
PTPN1 P18031 3/20 0.51

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
SCHEMBL5017471 0.93 PPARD (0.56) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL5016717 0.91 PPARD (0.74) PPARDPPARAPPARGFFAR1
SCHEMBL6052571 0.91 PPARD (0.51) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL5015470 0.89 PPARD (0.55) PPARDPPARAPPARGFFAR1
SCHEMBL6109598 0.89 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL6109837 0.88 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL6222068 0.87 PPARD (0.59) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL6494057 0.86 PPARD (0.60) PPARDPPARAPPARGFFAR1
SCHEMBL5015489 0.85 PPARD (0.55) PPARDPPARAPPARGFFAR1PTPN1
SCHEMBL5015457 0.85 PPARD (0.51) PPARDPPARAPPARGFFAR1PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.