SCHEMBL2945154

SCHEMBL2945154

Cc1ccc(S(=O)(=O)n2nc(/C=C/C(=O)O)c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SLC9A1 P19634 1/20 0.45
AGTR1 P30556 3/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
KDM4E B2RXH2 1/20 0.43
UBE2N P61088 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 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
SCHEMBL2945158 1.00 CA2 (0.45) CA2CA9SLC9A1AGTR1NR1H2
SCHEMBL2135065 0.87 CA2 (0.43) CA2CA9SLC9A1AGTR1NR1H2
SCHEMBL29136975 0.84 LMNA (0.43) KDM4ECYP3A4HTTALDH1A1PSEN1
SCHEMBL2135077 0.82 SLC9A1 (0.44) CA2CA9SLC9A1AGTR1NR1H2
SCHEMBL2135071 0.82 SLC9A1 (0.44) CA2CA9SLC9A1AGTR1NR1H2
SCHEMBL12253486 0.76 SLC9A1 (0.56) CA2SLC9A1AGTR1NR1H2NR1H3
SCHEMBL7828914 0.75 CA2 (0.71) CA2CA9KDM4EUBE2NL3MBTL1
SCHEMBL7828911 0.75 CA2 (0.71) CA2CA9KDM4EUBE2NL3MBTL1
SCHEMBL12253466 0.75 NR1H2 (0.56) SLC9A1AGTR1NR1H2NR1H3KDM4E
SCHEMBL9400073 0.74 ELANE (0.52) SLC9A1AGTR1NR1H2NR1H3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
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
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 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-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CA2 125/4885CA9 890/4885SLC9A1 149/4885

“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.