SCHEMBL2188507

SCHEMBL2188507

CC(C)([C@@H]1CCC(=O)N(Cc2ccccc2Cl)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.41
CACNA1B Q00975 2/20 0.41
POLB P06746 1/20 0.41
NR1I2 O75469 1/20 0.41
CCR2 P41597 2/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
CCR1 P32246 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
SCHEMBL2190731 1.00 DCUN1D1 (0.42) DCUN1D1KMT2ACYP3A4CACNA1BPOLB
SCHEMBL12415617 1.00 DCUN1D1 (0.42) DCUN1D1KMT2ACYP3A4CACNA1BPOLB
SCHEMBL2187688 0.91 USP2 (0.42) DCUN1D1CYP3A4CACNA1BNR1I2CCR2
SCHEMBL2190755 0.91 USP2 (0.42) DCUN1D1CYP3A4CACNA1BNR1I2CCR2
SCHEMBL7931250 0.91 USP2 (0.42) DCUN1D1CYP3A4CACNA1BNR1I2CCR2
SCHEMBL2187207 0.87 KMT2A (0.44) DCUN1D1KMT2ACYP3A4CACNA1BPOLB
SCHEMBL7929086 0.87 KMT2A (0.44) DCUN1D1KMT2ACYP3A4CACNA1BPOLB
SCHEMBL2189744 0.87 KMT2A (0.44) DCUN1D1KMT2ACYP3A4CACNA1BPOLB
SCHEMBL2190237 0.85 CYP3A4 (0.45) DCUN1D1KMT2ACYP3A4CACNA1BNR1I2
SCHEMBL2188590 0.85 CYP3A4 (0.45) DCUN1D1KMT2ACYP3A4CACNA1BNR1I2

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 DCUN1D1 3356/4885KMT2A 2427/4885CYP3A4 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.