SCHEMBL2190236

SCHEMBL2190236

CC(C)([C@@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.51
CYP3A4 P08684 3/20 0.51
NR1I2 O75469 2/20 0.51
LIPG Q9Y5X9 8/20 0.41
LPL P06858 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
LIPC P11150 2/20 0.39
ERAP1 Q9NZ08 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2188069 0.91 CACNA1B (0.51) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2190017 0.90 CACNA1B (0.49) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2191826 0.90 CACNA1B (0.49) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2188437 0.87 CACNA1B (0.49) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2190435 0.87 CACNA1B (0.49) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2189383 0.86 CACNA1B (0.55) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2192610 0.86 CACNA1B (0.55) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2191904 0.84 CACNA1B (0.45) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2189711 0.84 CACNA1B (0.45) CACNA1BCYP3A4NR1I2CYP2D6CYP2C9
SCHEMBL2186867 0.84 CACNA1B (0.48) CACNA1BCYP3A4NR1I2GAAKMT2A

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 2 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 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.