SCHEMBL12688382

SCHEMBL12688382

Cc1cccc(S(=O)(=O)C[C@H]2CC[C@@H](N)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 4/20 0.40
DRD2 P14416 3/20 0.40
HTR6 P50406 2/20 0.40
F2 P00734 2/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
HTR1D P28221 2/20 0.36
DRD3 P35462 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
FBP1 P09467 2/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL12688461 1.00 KMT2A (0.43) KMT2AHTR2AHTR2CHTR7DRD2
SCHEMBL12688400 0.87 KMT2A (0.44) KMT2AHTR2AHTR2CHTR7DRD2
SCHEMBL1498292 0.79 CCR2 (0.48) HTR2AHTR7DRD2HTR6F2
SCHEMBL1498375 0.79 CCR2 (0.48) HTR2AHTR7DRD2HTR6F2
SCHEMBL1498290 0.79 CCR2 (0.48) HTR2AHTR7DRD2HTR6F2
SCHEMBL1782820 0.73 CRBN (0.55) KMT2AALDH1A1MEN1
SCHEMBL19692897 0.73 HTR6 (0.43) HTR7DRD2HTR6ALDH1A1HTR1D
SCHEMBL29650200 0.73 HTR6 (0.43) HTR7DRD2HTR6ALDH1A1HTR1D
SCHEMBL5549948 0.73 ALDH1A1 (0.46) KMT2AALDH1A1MMP2
SCHEMBL2535633 0.73 CRBN (0.41) ALDH1A1FBP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A KMT2A 3950/4885HTR2A 737/4885HTR2C 778/4885

“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.