SCHEMBL2189744

SCHEMBL2189744

CC(C)([C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 2/20 0.42
CACNA1B Q00975 2/20 0.42
NR1I2 O75469 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
P2RX3 P56373 1/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.39
CCR2 P41597 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
SCHEMBL2187207 1.00 KMT2A (0.44) KMT2APOLBCYP3A4CACNA1BNR1I2
SCHEMBL7929086 1.00 KMT2A (0.44) KMT2APOLBCYP3A4CACNA1BNR1I2
SCHEMBL12415653 0.90 USP2 (0.42) CYP3A4CACNA1BNR1I2CNR2HTR6
SCHEMBL2189945 0.90 USP2 (0.42) CYP3A4CACNA1BNR1I2CNR2HTR6
SCHEMBL2189004 0.90 USP2 (0.42) CYP3A4CACNA1BNR1I2CNR2HTR6
SCHEMBL12415617 0.87 DCUN1D1 (0.42) KMT2APOLBCYP3A4CACNA1BNR1I2
SCHEMBL2188507 0.87 DCUN1D1 (0.42) KMT2APOLBCYP3A4CACNA1BNR1I2
SCHEMBL2190731 0.87 DCUN1D1 (0.42) KMT2APOLBCYP3A4CACNA1BNR1I2
SCHEMBL2189164 0.85 CYP3A4 (0.46) CYP3A4CACNA1BNR1I2CNR2UBE2M
SCHEMBL2189529 0.82 ALDH1A1 (0.49) KMT2APOLBCYP3A4CACNA1BNR1I2

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 claimed
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 KMT2A 2427/4885POLB 4727/4885CYP3A4 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.