SCHEMBL2945658

SCHEMBL2945658

Cc1ccc(S(=O)(=O)n2cc(C=CC(=O)O)c3c(F)cccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
KDM4E B2RXH2 1/20 0.49
UBE2N P61088 1/20 0.49
HTR6 P50406 8/20 0.43
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL2945655 1.00 CA2 (0.50) CA2CA9KDM4EUBE2NHTR6
SCHEMBL2137467 0.86 CA2 (0.46) CA2CA9KDM4EUBE2NHTR6
SCHEMBL2138689 0.83 KDM4E (0.66) CA2CA9KDM4EUBE2NHTR6
SCHEMBL2944160 0.82 CA2 (0.50) CA2CA9KDM4EUBE2NHTR6
SCHEMBL2944156 0.82 CA2 (0.50) CA2CA9KDM4EUBE2NHTR6
SCHEMBL7828911 0.81 CA2 (0.71) CA2CA9KDM4EUBE2NHTR6
SCHEMBL7828914 0.81 CA2 (0.71) CA2CA9KDM4EUBE2NHTR6
SCHEMBL2137648 0.81 KDM4E (0.46) CA2CA9KDM4EUBE2NHTR6
SCHEMBL2137653 0.81 KDM4E (0.46) CA2CA9KDM4EUBE2NHTR6
SCHEMBL2939545 0.80 CA2 (0.53) CA2CA9KDM4EUBE2NHTR6

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 890/4885KDM4E 830/4885

“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.