SCHEMBL2135071

SCHEMBL2135071

C/C(=C\c1nn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.44
AGTR1 P30556 3/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
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 2/20 0.42
NOD1 Q9Y239 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 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
SCHEMBL2135077 1.00 SLC9A1 (0.44) SLC9A1AGTR1HTTALDH1A1HPGD
SCHEMBL2945158 0.82 CA2 (0.45) SLC9A1AGTR1HTTALDH1A1HPGD
SCHEMBL2945154 0.82 CA2 (0.45) SLC9A1AGTR1HTTALDH1A1HPGD
SCHEMBL2135065 0.77 CA2 (0.43) SLC9A1AGTR1HTTALDH1A1HPGD
SCHEMBL24330076 0.76 SLC9A1 (0.54) SLC9A1AGTR1HTTALDH1A1HPGD
SCHEMBL29468196 0.76 SLC9A1 (0.54) SLC9A1AGTR1HTTALDH1A1HPGD
SCHEMBL12253486 0.76 SLC9A1 (0.56) SLC9A1AGTR1HTTALDH1A1NR1H2
SCHEMBL12253466 0.74 NR1H2 (0.56) SLC9A1AGTR1HTTALDH1A1NR1H2
SCHEMBL9400073 0.73 ELANE (0.52) SLC9A1AGTR1HTTALDH1A1HPGD
SCHEMBL7011123 0.73 SLC9A1 (0.54) SLC9A1AGTR1HTTALDH1A1NR1H2

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 SLC9A1 148/4885AGTR1 240/4885HTT 624/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H SLC9A1 149/4885AGTR1 233/4885HTT 633/4885

“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.