SCHEMBL7927653

SCHEMBL7927653

CC(C)(C)OC(=O)N1CC(C(C)(C)S(=O)(=O)c2ccccc2)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.40
NR1H3 Q13133 7/20 0.40
WNT3 P56703 1/20 0.39
SFRP1 Q8N474 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
TGFBR1 P36897 1/20 0.39
STS P08842 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.37
HSD11B1 P28845 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL2188583 0.87 CYP3A4 (0.47) WNT3SFRP1TGFBR1STS
SCHEMBL7931112 0.78 USP30 (0.51) SFRP1GPR119TGFBR1STS
SCHEMBL29081264 0.75 CHRM2 (0.39) NR1H2KDM1A
SCHEMBL26848604 0.75 CHRM2 (0.39) NR1H2KDM1A
SCHEMBL26848640 0.75 CHRM2 (0.39) NR1H2KDM1A
SCHEMBL1722375 0.75 CACNA1B (0.49)
SCHEMBL31251393 0.71 POLB (0.44) GPR119MEN1KMT2A
SCHEMBL16228718 0.71 POLB (0.44) GPR119MEN1KMT2A
SCHEMBL16228721 0.71 POLB (0.44) GPR119MEN1KMT2A
SCHEMBL24364142 0.70 CHRM2 (0.41) NR1H2GPR119

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
WO-2010036589-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO 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 NR1H2 744/4885NR1H3 1079/4885WNT3 4519/4885

“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.