SCHEMBL2189657

SCHEMBL2189657

CC(C)(C1CCN(Cc2ccccc2S(C)(=O)=O)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.51
NR1I2 O75469 5/20 0.51
CYP3A4 P08684 4/20 0.51
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTR6 P50406 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2190253 0.90 CACNA1B (0.59) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL2190086 0.90 CACNA1B (0.47) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL1710638 0.89 CACNA1B (0.45) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL2188590 0.89 CYP3A4 (0.45) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL2190237 0.89 CYP3A4 (0.45) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL2187144 0.87 LMNA (0.50) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL2189634 0.86 CACNA1B (0.51) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL2191015 0.86 CACNA1B (0.51) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL2188485 0.83 CACNA1B (0.52) CACNA1BNR1I2CYP3A4USP2ALDH1A1
SCHEMBL2189164 0.83 CYP3A4 (0.46) CACNA1BNR1I2CYP3A4USP2ALDH1A1

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 23/4885NR1I2 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.