SCHEMBL2189529

SCHEMBL2189529

CC(C)(C1CC(=O)N(Cc2ccccc2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 2/20 0.44
CYP3A4 P08684 3/20 0.42
CACNA1B Q00975 2/20 0.42
NR1I2 O75469 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
P2RX7 Q99572 1/20 0.41
S1PR1 P21453 1/20 0.41
GRK5 P34947 1/20 0.41
CDK8 P49336 1/20 0.41
S1PR5 Q9H228 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL2189945 0.92 USP2 (0.42) ALDH1A1LMNAUSP2CYP3A4CACNA1B
SCHEMBL2189004 0.92 USP2 (0.42) ALDH1A1LMNAUSP2CYP3A4CACNA1B
SCHEMBL12415653 0.92 USP2 (0.42) ALDH1A1LMNAUSP2CYP3A4CACNA1B
SCHEMBL2187144 0.90 LMNA (0.50) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL1710704 0.89 ALDH1A1 (0.45) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL2191927 0.89 ALDH1A1 (0.45) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL2187688 0.88 USP2 (0.42) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL7931250 0.88 USP2 (0.42) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL2190755 0.88 USP2 (0.42) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL2190524 0.82 CYP3A4 (0.45) ALDH1A1LMNAUSP2MAPTCYP3A4

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 ALDH1A1 489/4885LMNA 3714/4885USP2 3409/4885

“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.