SCHEMBL6489153

SCHEMBL6489153

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1cc(CC(=O)O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.53
PPARA Q07869 10/20 0.53
PPARG P37231 7/20 0.53
AKR1A1 P14550 1/20 0.47
AKR1B1 P15121 1/20 0.47
FFAR1 O14842 5/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTR6 P50406 1/20 0.44

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
SCHEMBL5657706 0.91 PPARD (0.55) PPARDPPARAPPARGAKR1A1AKR1B1
SCHEMBL5661290 0.80 PPARD (0.55) PPARDPPARAPPARGAKR1A1AKR1B1
SCHEMBL5660103 0.79 PPARD (0.54) PPARDPPARAPPARGAKR1A1AKR1B1
SCHEMBL6502357 0.79 FFAR1 (0.48) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL5023897 0.78 PPARD (0.75) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL5660147 0.78 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL6487110 0.77 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL6500263 0.77 FFAR1 (0.45) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL6500269 0.76 FFAR1 (0.44) PPARDPPARAPPARGFFAR1ALDH1A1
SCHEMBL5861969 0.76 PPARD (0.71) 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 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.