SCHEMBL6499470

SCHEMBL6499470

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCN1CCc2cc(OCC(=O)O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.57
FFAR1 O14842 5/20 0.57
PPARA Q07869 13/20 0.56
PPARG P37231 11/20 0.56

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
SCHEMBL6501508 0.94 PPARD (0.57) PPARDFFAR1PPARAPPARG
SCHEMBL6530075 0.92 FFAR1 (0.49) PPARDFFAR1PPARAPPARG
SCHEMBL5476557 0.88 PPARA (0.65) PPARDFFAR1PPARAPPARG
SCHEMBL6522056 0.86 FFAR1 (0.49) PPARDFFAR1PPARAPPARG
SCHEMBL6500019 0.84 PPARD (0.53) PPARDFFAR1PPARAPPARG
SCHEMBL12151188 0.83 PPARD (0.60) PPARDFFAR1PPARAPPARG
SCHEMBL5478839 0.82 PPARA (0.65) PPARDFFAR1PPARAPPARG
SCHEMBL6491580 0.79 PPARD (0.60) PPARDFFAR1PPARAPPARG
SCHEMBL6494057 0.79 PPARD (0.60) PPARDFFAR1PPARAPPARG
SCHEMBL6221182 0.78 PPARD (0.53) PPARDFFAR1PPARAPPARG

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 2 patents. 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
WO-2005060958-A1 (5- (2-PHENYL)-THIAZOL-5-YLMETHOXY)-INDOL-1-YL) -ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE HUMAN PPAR-DELTA RECEPTOR FOR THE TREATMENT OF METABOLIC DISORDERS SUCH AS TYPE 2 DIABETES KALYPSYS, INC. (US) 2005-07-07 WO 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 2/4885FFAR1 43/4885PPARA 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.