SCHEMBL12688482

SCHEMBL12688482

Cc1cccc(S(=O)(=O)C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KAT6A Q92794 1/20 0.42
KAT5 Q92993 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
EPHX2 P34913 2/20 0.39
KAT8 Q9H7Z6 1/20 0.39
NR1H2 P55055 1/20 0.38
DRD2 P14416 4/20 0.38
CCR5 P51681 1/20 0.38
ACACB O00763 1/20 0.37
DRD3 P35462 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
SCHEMBL12688390 0.90 DRD2 (0.46) RORCKMT2AL3MBTL1KAT6AKAT5
SCHEMBL12688463 0.90 DRD2 (0.46) RORCKMT2AL3MBTL1KAT6AKAT5
SCHEMBL12542545 0.86 RORC (0.51) RORCALDH1A1
SCHEMBL12542544 0.86 RORC (0.51) RORCALDH1A1
SCHEMBL12688547 0.83 KAT6A (0.49) RORCKMT2AL3MBTL1KAT6AKAT5
SCHEMBL12688450 0.83 KAT6A (0.49) RORCKMT2AL3MBTL1KAT6AKAT5
SCHEMBL5548715 0.81 MAOB (0.52) KMT2AL3MBTL1MAOBKDM1AMAOA
SCHEMBL5548711 0.81 MAOB (0.52) KMT2AL3MBTL1MAOBKDM1AMAOA
SCHEMBL5543212 0.81 MAOB (0.52) KMT2AL3MBTL1MAOBKDM1AMAOA
SCHEMBL1498398 0.77 RORC (0.50) RORC

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 RORC 1695/4885KMT2A 3950/4885L3MBTL1 2854/4885

“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.