SCHEMBL2137648

SCHEMBL2137648

CC/C(=C\c1cn(S(=O)(=O)c2ccc(C)cc2)c2cccc(F)c12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
UBE2N P61088 1/20 0.46
HTR6 P50406 9/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 5/20 0.40
PTGS2 P35354 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
DRD3 P35462 1/20 0.39
TNFSF11 O14788 1/20 0.38
ALK Q9UM73 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL2137653 1.00 KDM4E (0.46) KDM4EUBE2NHTR6HTR2AHTR2C
SCHEMBL2137327 0.84 KDM4E (0.43) KDM4EUBE2NHTR6CA2CA9
SCHEMBL2137329 0.84 KDM4E (0.43) KDM4EUBE2NHTR6CA2CA9
SCHEMBL2134863 0.82 KDM4E (0.46) KDM4EUBE2NHTR6HTR2ACA2
SCHEMBL2134859 0.82 KDM4E (0.46) KDM4EUBE2NHTR6HTR2ACA2
SCHEMBL2945658 0.81 CA2 (0.50) KDM4EUBE2NHTR6HTR2AHTR2C
SCHEMBL2945655 0.81 CA2 (0.50) KDM4EUBE2NHTR6HTR2AHTR2C
SCHEMBL2138689 0.80 KDM4E (0.66) KDM4EUBE2NHTR6HTR2AHTR2C
SCHEMBL2139504 0.80 PTGDR2 (0.48) KDM4EUBE2NHTR6HTR2ACA2
SCHEMBL2139508 0.80 PTGDR2 (0.48) KDM4EUBE2NHTR6HTR2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H KDM4E 837/4885UBE2N 4408/4885HTR6 1715/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H KDM4E 830/4885UBE2N 4410/4885HTR6 1699/4885

“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.