SCHEMBL12688463

SCHEMBL12688463

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
DRD3 P35462 1/20 0.45
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
RORC P51449 3/20 0.43
KAT6A Q92794 1/20 0.43
KAT5 Q92993 1/20 0.43
CCR5 P51681 1/20 0.41
ACACB O00763 1/20 0.41
EPHX2 P34913 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12688390 1.00 DRD2 (0.46) DRD2DRD3KDM1AMAOBRORC
SCHEMBL12688482 0.90 RORC (0.44) DRD2DRD3KDM1AMAOBRORC
SCHEMBL12692913 0.86 RORC (0.50) RORC
SCHEMBL1498399 0.86 RORC (0.50) RORC
SCHEMBL1498398 0.86 RORC (0.50) RORC
SCHEMBL5543212 0.82 MAOB (0.52) DRD2DRD3KDM1AMAOBCCR5
SCHEMBL5548715 0.82 MAOB (0.52) DRD2DRD3KDM1AMAOBCCR5
SCHEMBL5548711 0.82 MAOB (0.52) DRD2DRD3KDM1AMAOBCCR5
SCHEMBL12688654 0.80 MAPT (0.48) EPHX2KMT2AALDH1A1
SCHEMBL24711750 0.79 EPHX2 (0.62) RORCEPHX2KMT2AL3MBTL1ALDH1A1

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 DRD2 1003/4885DRD3 956/4885KDM1A 3502/4885

“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.