SCHEMBL2192610

SCHEMBL2192610

CC(C)([C@H]1CCN(c2ccc(C(F)(F)F)cc2S(C)(=O)=O)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 16/20 0.55
NR1I2 O75469 7/20 0.55
CYP3A4 P08684 4/20 0.55
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2189383 1.00 CACNA1B (0.55) CACNA1BNR1I2CYP3A4DRD2ADRA1D
SCHEMBL2188313 0.95 CACNA1B (0.51) CACNA1BNR1I2CYP3A4DRD2ADRA1D
SCHEMBL2188631 0.95 CACNA1B (0.51) CACNA1BNR1I2CYP3A4DRD2ADRA1D
SCHEMBL2190414 0.90 CACNA1B (0.50) CACNA1BNR1I2CYP3A4OPRM1OPRL1
SCHEMBL2189827 0.90 CACNA1B (0.50) CACNA1BNR1I2CYP3A4OPRM1OPRL1
SCHEMBL12415663 0.90 CACNA1B (0.50) CACNA1BNR1I2CYP3A4OPRM1OPRL1
SCHEMBL2188437 0.89 CACNA1B (0.49) CACNA1BNR1I2CYP3A4DRD2ADRA1D
SCHEMBL2190435 0.89 CACNA1B (0.49) CACNA1BNR1I2CYP3A4DRD2ADRA1D
SCHEMBL2191904 0.87 CACNA1B (0.45) CACNA1BNR1I2CYP3A4DRD2ADRA1D
SCHEMBL2189711 0.87 CACNA1B (0.45) CACNA1BNR1I2CYP3A4DRD2ADRA1D

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 3 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

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 23/4885NR1I2 765/4885CYP3A4 939/4885

“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.