SCHEMBL6497348

SCHEMBL6497348

COC(=O)COc1ccc2c(ccn2Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.53
PPARD Q03181 19/20 0.51
PPARA Q07869 13/20 0.50
PPARG P37231 7/20 0.50

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
SCHEMBL6487765 0.93 FFAR1 (0.53) FFAR1PPARDPPARAPPARG
SCHEMBL6487103 0.92 FFAR1 (0.51) FFAR1PPARDPPARAPPARG
SCHEMBL6487449 0.91 PPARD (0.62) FFAR1PPARDPPARAPPARG
SCHEMBL5859191 0.86 PPARD (0.62) FFAR1PPARDPPARAPPARG
SCHEMBL6496383 0.84 PPARD (0.62) FFAR1PPARDPPARAPPARG
SCHEMBL6495872 0.84 PPARA (0.65) FFAR1PPARDPPARAPPARG
SCHEMBL6494057 0.83 PPARD (0.60) FFAR1PPARDPPARAPPARG
SCHEMBL6495846 0.82 FFAR1 (0.48) FFAR1PPARDPPARAPPARG
SCHEMBL6499991 0.82 PPARA (0.53) FFAR1PPARDPPARAPPARG
SCHEMBL6497059 0.81 PPARD (0.50) FFAR1PPARDPPARAPPARG

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 FFAR1 43/4885PPARD 2/4885PPARA 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.