SCHEMBL5480573

SCHEMBL5480573

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1cccc(CC(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.67
PPARA Q07869 15/20 0.67
PPARG P37231 9/20 0.67
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FFAR1 O14842 2/20 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
SCHEMBL5476563 0.90 PPARD (0.65) PPARDPPARAPPARGMAPTMEN1
SCHEMBL5478068 0.88 PPARD (0.67) PPARDPPARAPPARGMAPTMEN1
SCHEMBL6235596 0.88 PPARD (0.72) PPARDPPARAPPARGMAPTMEN1
SCHEMBL5477014 0.85 PPARD (0.71) PPARDPPARAPPARGMAPTMEN1
SCHEMBL3809452 0.83 PPARD (0.64) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL5474625 0.82 PPARD (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL6240895 0.81 PPARD (0.60) PPARDPPARAPPARGMAPTMEN1
SCHEMBL13647505 0.81 PPARA (0.49) PPARDPPARAPPARG
SCHEMBL5023897 0.81 PPARD (0.75) PPARDPPARAPPARGMAPTALDH1A1
SCHEMBL5475700 0.80 PPARD (0.78) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR KALYPSYS, INC. (US) 2007-08-16 US disclosed
US-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR KALYPSYS, INC. (US) 2007-08-16 US disclosed
US-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR KALYPSYS, INC. (US) 2007-08-16 US disclosed
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 (2 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
US-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 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.