SCHEMBL1498384

SCHEMBL1498384

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](COS(C)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.45
BTK Q06187 1/20 0.43
EPHX1 P07099 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
DRD3 P35462 2/20 0.41
CTSK P43235 2/20 0.41
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1498493 1.00 DRD2 (0.45) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL1498385 1.00 DRD2 (0.45) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL21069649 0.92 BTK (0.48) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL22362354 0.92 BTK (0.48) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3896959 0.92 BTK (0.48) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3900620 0.92 BTK (0.48) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3900150 0.92 BTK (0.48) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL707674 0.87 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL17598632 0.87 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL1670919 0.87 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
EP-2477963-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2012-07-25 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
WO-2011035159-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-24 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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A DRD2 1003/4885BTK 2591/4885EPHX1 4180/4885

“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.