SCHEMBL5606324

SCHEMBL5606324

Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1Cc1coc2ccc(OCC(=O)O)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
TP53 P04637 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
PPARD Q03181 12/20 0.44
PPARA Q07869 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 2/20 0.41
KDM4E B2RXH2 2/20 0.39
PTPN1 P18031 1/20 0.39
AGER Q15109 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5613384 0.86 PPARD (0.55) MTNR1APPARDPPARAPPARGFFAR1
SCHEMBL5613930 0.85 PPARA (0.50) MTNR1APPARDPPARAPPARG
SCHEMBL5613730 0.83 PPARD (0.45) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5613728 0.79 PPARD (0.65) SMN1; SMN2PPARDPPARAPPARGFFAR1
SCHEMBL5613508 0.79 PPARA (0.59) SMN1; SMN2PPARDPPARAPPARGFFAR1
SCHEMBL4950019 0.75 PPARD (0.61) PPARDPPARA
SCHEMBL5606596 0.75 PPARD (0.45) TSHRPPARDPPARAPPARGKDM4E
SCHEMBL4953686 0.74 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL5606352 0.74 PPARD (0.47) PPARDPPARAPPARGAGER
SCHEMBL4956335 0.74 PPARD (0.58) PPARDPPARAPPARG

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 MTNR1A 1335/4885TP53 2848/4885RECQL 3988/4885

“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.