SCHEMBL2139496

SCHEMBL2139496

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.45
KDM4E B2RXH2 2/20 0.45
UBE2N P61088 1/20 0.45
PKM P14618 1/20 0.41
HTR6 P50406 5/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
KLK7 P49862 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2134855 0.92 CA2 (0.48) CA2CA9PTGDR2KDM4EUBE2N
SCHEMBL2940089 0.86 CA2 (0.53) CA2CA9PTGDR2KDM4EUBE2N
SCHEMBL2940086 0.86 CA2 (0.53) CA2CA9PTGDR2KDM4EUBE2N
SCHEMBL2136415 0.85 CA2 (0.46) CA2CA9PTGDR2KDM4EUBE2N
SCHEMBL4619058 0.83 PPARG (0.55) CA2CA9HTR6
SCHEMBL4619062 0.83 PPARG (0.55) CA2CA9HTR6
SCHEMBL2134631 0.80 KDM4E (0.67) CA2CA9PTGDR2KDM4EUBE2N
SCHEMBL2137467 0.80 CA2 (0.46) CA2CA9KDM4EUBE2NPKM
SCHEMBL2137324 0.80 CA2 (0.46) CA2CA9KDM4EUBE2NPKM
SCHEMBL2139508 0.79 PTGDR2 (0.48) CA2CA9PTGDR2KDM4EUBE2N

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 CA2 125/4885CA9 878/4885PTGDR2 2591/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CA2 125/4885CA9 890/4885PTGDR2 2589/4885

“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.