SCHEMBL14967014

SCHEMBL14967014

Cc1cc(C(F)(F)F)c(CNC(=O)c2ccc(Oc3ccccc3)cc2)c(O)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.55
EPHX2 P34913 4/20 0.49
MMP13 P45452 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.48
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL14966892 0.88 MAPK14 (0.53) MAPK14EPHX2MMP13SMN1; SMN2LMNA
SCHEMBL14967422 0.86 MAPK14 (0.56) MAPK14MMP13SMN1; SMN2LMNACYP3A4
SCHEMBL14966690 0.84 MAPK14 (0.54) MAPK14MMP13SMN1; SMN2LMNACYP3A4
SCHEMBL14966950 0.83 MAPK14 (0.55) MAPK14EPHX2MMP13SMN1; SMN2LMNA
SCHEMBL14966960 0.83 SMN1; SMN2 (0.54) MAPK14MMP13SMN1; SMN2LMNACYP3A4
SCHEMBL14966964 0.83 MAPK14 (0.53) MAPK14EPHX2MMP13SMN1; SMN2LMNA
SCHEMBL16116661 0.79 MAPK14 (0.55) MAPK14EPHX2MMP13SMN1; SMN2LMNA
SCHEMBL14967435 0.78 MAPK14 (0.57) MAPK14EPHX2MMP13SMN1; SMN2LMNA
SCHEMBL14966646 0.77 KLKB1 (0.46) MAPK14MMP13SMN1; SMN2LMNACYP3A4
SCHEMBL14967238 0.76 KLKB1 (0.44) MAPK14MMP13SMN1; SMN2LMNACYP3A4

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
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 MAPK14 4092/4885EPHX2 574/4885MMP13 2054/4885

“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.