SCHEMBL5613786

SCHEMBL5613786

Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2nc(CC(=O)O)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
PPARD Q03181 13/20 0.43
PPARA Q07869 10/20 0.43
F2RL3 Q96RI0 2/20 0.41
PPARG P37231 6/20 0.41
AKR1B1 P15121 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL5607000 0.93 AKR1B1 (0.44) PTGDR2PPARDPPARAPPARGAKR1B1
SCHEMBL5613620 0.81 PPARD (0.45) PTGDR2PPARDPPARAPPARGAKR1B1
SCHEMBL5613728 0.81 PPARD (0.65) PTGDR2PPARDPPARAPPARG
SCHEMBL4953945 0.80 PPARD (0.57) PTGDR2PPARDPPARAPPARG
SCHEMBL5613778 0.79 MAOB (0.48) PTGDR2PPARDPPARAPPARG
SCHEMBL5613384 0.79 PPARD (0.55) PTGDR2PPARDPPARAPPARG
SCHEMBL5606101 0.79 AKR1B1 (0.49) PTGDR2PPARDPPARAPPARGAKR1B1
SCHEMBL14215718 0.77 MAPT (0.45) PTGDR2PPARDPPARAPPARG
SCHEMBL14188777 0.77 PPARD (0.60) PTGDR2PPARDPPARAPPARG
SCHEMBL14188778 0.77 PPARD (0.60) PTGDR2PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-01-19 US 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 PTGDR2 959/4885PPARD 2/4885PPARA 4/4885

“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.