SCHEMBL6500900

SCHEMBL6500900

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2cc[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.52
PPARA Q07869 12/20 0.52
PPARG P37231 9/20 0.52
FFAR1 O14842 7/20 0.49
CHRM5 P08912 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL5016708 0.85 PPARD (0.52) PPARDPPARAPPARGFFAR1
SCHEMBL6471169 0.78 PPARD (0.62) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL5017243 0.78 PPARD (0.60) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6499481 0.78 PPARD (0.60) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6239400 0.77 PPARD (0.54) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6242514 0.77 PPARD (0.54) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6263799 0.75 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL15160329 0.75 PPARD (0.61) PPARDPPARAPPARGFFAR1
SCHEMBL6237739 0.74 PPARD (0.56) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6052651 0.74 PPARD (0.61) PPARDPPARAPPARGFFAR1CHRM5

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-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions KALYPSYS, INC. (US) 2005-09-15 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-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 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.