SCHEMBL659630

SCHEMBL659630

Cc1cccc(-n2nc(C(F)(F)F)cc2C(OC(N)=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.49
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 1/20 0.42
CARM1 Q86X55 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RIPK2 O43353 1/20 0.40
RPA1 P27694 1/20 0.40

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
SCHEMBL657904 0.80 TRPV1 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL25511207 0.76 PTGS1 (0.46) KLKB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22417059 0.75 KLKB1 (0.58) KLKB1CARM1RIPK2
SCHEMBL659101 0.75 TRPV1 (0.42) KLKB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL660095 0.74 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14
SCHEMBL658627 0.73 KLKB1 (0.40) KLKB1KDM4E
SCHEMBL657732 0.73 TRPV1 (0.44) KLKB1MAPTALDH1A1
SCHEMBL25541972 0.71 PTGS1 (0.47) KLKB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22417077 0.71 KLKB1 (0.54) KLKB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL659074 0.71 EPHX1 (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 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 (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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 KLKB1 4444/4885MAPK13 1876/4885MAPK12 2149/4885

“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.