SCHEMBL5009901

SCHEMBL5009901

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
BTK Q06187 1/20 0.44
EPHX1 P07099 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CTSK P43235 2/20 0.42
DRD3 P35462 1/20 0.42
GAA P10253 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
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
SCHEMBL1353317 0.87 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL1353315 0.87 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL29003264 0.87 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL12911093 0.86 DRD2 (0.50) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL12688495 0.86 DRD2 (0.50) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL12688427 0.86 DRD2 (0.50) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL31643918 0.85 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL28708704 0.84 DRD2 (0.45) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL28495723 0.84 DRD2 (0.45) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3943582 0.81 DRD2 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 DRD2 337/4885BTK 392/4885EPHX1 3471/4885

“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.