SCHEMBL2139504

SCHEMBL2139504

CC/C(=C\c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(F)cc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.48
KDM4E B2RXH2 1/20 0.46
UBE2N P61088 1/20 0.46
HTR6 P50406 5/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGDR Q13258 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KLK7 P49862 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2139508 1.00 PTGDR2 (0.48) PTGDR2KDM4EUBE2NHTR6HTR2A
SCHEMBL2134863 0.92 KDM4E (0.46) PTGDR2KDM4EUBE2NHTR6HTR2A
SCHEMBL2134859 0.92 KDM4E (0.46) PTGDR2KDM4EUBE2NHTR6HTR2A
SCHEMBL2136418 0.85 HTR6 (0.46) PTGDR2KDM4EUBE2NHTR6CA2
SCHEMBL2136423 0.85 HTR6 (0.46) PTGDR2KDM4EUBE2NHTR6CA2
SCHEMBL2134631 0.81 KDM4E (0.67) PTGDR2KDM4EUBE2NHTR6CA2
SCHEMBL2940086 0.81 CA2 (0.53) PTGDR2KDM4EUBE2NHTR6HTR2A
SCHEMBL2940089 0.81 CA2 (0.53) PTGDR2KDM4EUBE2NHTR6HTR2A
SCHEMBL2137327 0.80 KDM4E (0.43) PTGDR2KDM4EUBE2NHTR6CA2
SCHEMBL2137329 0.80 KDM4E (0.43) PTGDR2KDM4EUBE2NHTR6CA2

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 PTGDR2 2591/4885KDM4E 837/4885UBE2N 4408/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H PTGDR2 2589/4885KDM4E 830/4885UBE2N 4410/4885

“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.