SCHEMBL6500263

SCHEMBL6500263

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2c([O])cccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.45
PPARD Q03181 8/20 0.44
PPARA Q07869 8/20 0.44
PPARG P37231 5/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 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
SCHEMBL6500269 0.89 FFAR1 (0.44) FFAR1PPARDPPARAPPARGNPC1
SCHEMBL6502357 0.87 FFAR1 (0.48) FFAR1PPARDPPARAPPARGNPC1
SCHEMBL6487110 0.83 PPARD (0.57) FFAR1PPARDPPARAPPARG
SCHEMBL6495846 0.82 FFAR1 (0.48) FFAR1PPARDPPARAPPARGMAPT
SCHEMBL6489153 0.77 PPARD (0.53) FFAR1PPARDPPARAPPARGALDH1A1
SCHEMBL6500025 0.76 NR1H4 (0.51) FFAR1PPARDPPARAPPARGNPC1
SCHEMBL5015433 0.76 PPARD (0.57) FFAR1PPARDPPARAPPARG
SCHEMBL6526499 0.76 NPC1 (0.44) FFAR1PPARDPPARAPPARGNPC1
SCHEMBL5657706 0.75 PPARD (0.55) FFAR1PPARDPPARAPPARGMAPT
SCHEMBL6495570 0.74 PPARD (0.51) 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.