SCHEMBL5613620

SCHEMBL5613620

Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2nc(CC(=O)O)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.45
PPARA Q07869 8/20 0.45
AKR1B1 P15121 6/20 0.44
PPARG P37231 4/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL5606101 0.93 AKR1B1 (0.49) PPARDPPARAAKR1B1PPARGPTGDR2
SCHEMBL5613786 0.81 PTGDR2 (0.43) PPARDPPARAAKR1B1PPARGPTGDR2
SCHEMBL4953945 0.80 PPARD (0.57) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL5607000 0.79 AKR1B1 (0.44) PPARDPPARAAKR1B1PPARGPTGDR2
SCHEMBL5613778 0.79 MAOB (0.48) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL5613590 0.79 PPARD (0.55) PPARDPPARAPPARGPTGDR2
SCHEMBL14215718 0.77 MAPT (0.45) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL14188777 0.77 PPARD (0.60) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL14188778 0.77 PPARD (0.60) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL5613595 0.77 PPARD (0.44) PPARDPPARAPPARGPTGDR2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749000-A2 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-02-07 EP claimed
US-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-01-19 US claimed
WO-2005115384-A2 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2005-12-08 WO claimed
EP-1749000-A2 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-02-07 EP disclosed
US-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-01-19 US disclosed
WO-2005115384-A2 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2005-12-08 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-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 PPARD 2/4885PPARA 4/4885AKR1B1 557/4885

“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.