SCHEMBL7927656

SCHEMBL7927656

CC(C)(C1CCC(=O)NC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.39
HTR7 P34969 3/20 0.36
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
DDB1 Q16531 2/20 0.34
HTR1B P28222 1/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC5A1 P13866 1/20 0.32
PKM P14618 1/20 0.32
HTR6 P50406 1/20 0.32
ACHE P22303 1/20 0.32
PARL Q9H300 1/20 0.32
KCNA5 P22460 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1710685 0.83 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19HTR6
SCHEMBL7860276 0.75 HTR6 (0.49) HTR7HTR1ADRD2HTR2AHTR1B
SCHEMBL13424726 0.74 TNKS (0.34) HTR7HTR1ADRD2HTR2AHTR1B
SCHEMBL12385740 0.70 ALDH1A1 (0.38) CRBNMAPTPKM
SCHEMBL2190918 0.69 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19HTR6
SCHEMBL1710830 0.69 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19HTR6
SCHEMBL9833952 0.69 MAPT (0.36) CRBNHTR7HTR1ADRD2HTR2A
SCHEMBL10878628 0.69 MAPT (0.46) CRBNHTR2AMAPTCYP3A4CYP2C9
SCHEMBL2043937 0.68 PARL (0.41) CRBNDDB1MAPTCYP3A4CYP2C9
SCHEMBL25703887 0.68 CRBN (0.33) CRBNMAPT

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 CRBN 3210/4885HTR7 431/4885HTR1A 256/4885

“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.