SCHEMBL2188485

SCHEMBL2188485

CC(C)(C1CCN(Cc2ccc(F)cc2)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.52
CYP3A4 P08684 4/20 0.52
NR1I2 O75469 2/20 0.52
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
DPP4 P27487 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
CCR2 P41597 1/20 0.39
OPRL1 P41146 1/20 0.39
HTT P42858 2/20 0.39
RGS4 P49798 1/20 0.38
RGS8 P57771 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
BDKRB1 P46663 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
SCHEMBL2189164 0.92 CYP3A4 (0.46) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2187144 0.92 LMNA (0.50) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2189634 0.91 CACNA1B (0.51) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2187894 0.91 CACNA1B (0.51) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2188427 0.89 CACNA1B (0.49) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2190524 0.89 CYP3A4 (0.45) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2191015 0.88 CACNA1B (0.51) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2190253 0.86 CACNA1B (0.59) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2190086 0.86 CACNA1B (0.47) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2188590 0.85 CYP3A4 (0.45) CACNA1BCYP3A4NR1I2USP2ALDH1A1

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 23/4885CYP3A4 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.