SCHEMBL2187347

SCHEMBL2187347

CC(C)(C1CCN(c2ccc3ccccc3c2)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.46
CYP3A4 P08684 2/20 0.46
NR1I2 O75469 1/20 0.46
HTT P42858 1/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR7 P34969 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MCHR1 Q99705 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL2188633 0.90 CYP3A4 (0.50) CACNA1BCYP3A4NR1I2HTTHTR7
SCHEMBL2190018 0.89 CACNA1B (0.49) CACNA1BCYP3A4NR1I2HTTCA12
SCHEMBL2188801 0.89 CACNA1B (0.49) CACNA1BCYP3A4NR1I2HTTHTR7
SCHEMBL2188835 0.89 CACNA1B (0.49) CACNA1BCYP3A4NR1I2HTTCA12
SCHEMBL2191790 0.89 CACNA1B (0.49) CACNA1BCYP3A4NR1I2HTTCA12
SCHEMBL2187123 0.86 CACNA1B (0.55) CACNA1BCYP3A4NR1I2CA12CA1
SCHEMBL2189110 0.86 CACNA1B (0.55) CACNA1BCYP3A4NR1I2CA12CA1
SCHEMBL2187280 0.86 CACNA1B (0.45) CACNA1BCYP3A4NR1I2HTTHTR7
SCHEMBL2187331 0.86 CACNA1B (0.45) CACNA1BCYP3A4NR1I2HTTHTR7
SCHEMBL2190539 0.85 CYP3A4 (0.43) CACNA1BCYP3A4NR1I2HTTCA12

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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US claimed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 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 (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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D CACNA1B 23/4885CYP3A4 939/4885NR1I2 765/4885

“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.