SCHEMBL4697642

SCHEMBL4697642

O=[N+]([O-])c1ccc(Oc2cncc(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPAS1 Q99814 4/20 0.47
VEGFA P15692 4/20 0.46
PDE7A Q13946 1/20 0.42
HSPB1 P04792 2/20 0.40
PLA2G7 Q13093 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2035696 0.84 HSPB1 (0.53) PPARGVEGFAPDE7AHSPB1ALDH1A1
SCHEMBL11092359 0.83 PDE7A (0.53) CYP1A2CYP2C9CYP2C19EPAS1VEGFA
SCHEMBL2031919 0.83 PDE7A (0.60) PPARGCYP1A2CYP2C9CYP2C19PDE7A
SCHEMBL29519502 0.81 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19EPAS1VEGFA
SCHEMBL8141281 0.81 HSPB1 (0.57) CYP1A2CYP2C9CYP2C19EPAS1VEGFA
SCHEMBL4694599 0.81 PPARG (0.49) PPARGPDE7AHSPB1ALDH1A1MAPT
SCHEMBL2030201 0.81 PPARG (0.47) PPARGEPAS1VEGFAPDE7AHSPB1
SCHEMBL31457196 0.80 HSPB1 (0.57) CYP1A2CYP2C9CYP2C19EPAS1PDE7A
SCHEMBL2034854 0.80 PPARG (0.50) PPARGCYP1A2CYP2C9CYP2C19PDE7A
SCHEMBL10508154 0.80 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19EPAS1VEGFA

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
EP-1053227-B1 PPAR-GAMMA MODULATORS AMGEN INC (US) 2008-11-05 EP disclosed
US-7439242-B2 PPARγ modulators AMGEN INC. (US) 2008-10-21 US disclosed
US-20030088103-A1 PPARgamma modulators TULARIK INC. (US) 2003-05-08 US disclosed
US-20010027200-A1 PPARgamma modulators TULARIK INC. 2001-10-04 US disclosed
US-6200995-B1 PYRIDYLOXYBENZENESULFONAMIDE DERIVATIVES; DIABETES, OBESITY TULARIK INC. 2001-03-13 US 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-20030088103-A1 PPARgamma modulators PPARG, PPARA, PPARD PPARG 1/4885CYP1A2 1014/4885CYP2C9 1917/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD PPARG 1/4885CYP1A2 1014/4885CYP2C9 1917/4885

“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.