SCHEMBL5606596

SCHEMBL5606596

Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(C(C)C(=O)O)coc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.45
PPARA Q07869 5/20 0.45
PPARG P37231 2/20 0.43
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPT P10636 1/20 0.36
AR P10275 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5613728 0.85 PPARD (0.65) PPARDPPARAPPARGMAOAMAOB
SCHEMBL5606352 0.85 PPARD (0.47) PPARDPPARAPPARGMAOAMAOB
SCHEMBL5613384 0.81 PPARD (0.55) PPARDPPARAPPARGMAOAMAOB
SCHEMBL5605559 0.78 PPARD (0.60) PPARDPPARAPPARGMAPT
SCHEMBL5613508 0.77 PPARA (0.59) PPARDPPARAPPARGMAPT
SCHEMBL14215718 0.76 MAPT (0.45) PPARDPPARAPPARGMAPTPTGDR2
SCHEMBL17431516 0.75 PPARD (0.38) PPARDPPARAMAOAMAOBMAPT
SCHEMBL5606324 0.75 MTNR1A (0.46) PPARDPPARAPPARGTSHRKDM4E
SCHEMBL5605647 0.75 PPARD (0.44) PPARDPPARAPPARGMAPTPTGDR2
SCHEMBL5613786 0.75 PTGDR2 (0.43) PPARDPPARAPPARGPTGDR2CA12

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 4/4885PPARG 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.