SCHEMBL9885083

SCHEMBL9885083

Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
MAOB P27338 2/20 0.43
KDM1A O60341 1/20 0.43
HPGD P15428 1/20 0.43
DRD3 P35462 1/20 0.42
KMT2A Q03164 3/20 0.41
ACACB O00763 1/20 0.41
MAOA P21397 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 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
SCHEMBL942085 1.00 DRD2 (0.46) DRD2MAOBKDM1AHPGDDRD3
SCHEMBL942084 1.00 DRD2 (0.46) DRD2MAOBKDM1AHPGDDRD3
SCHEMBL965092 0.93 DRD2 (0.44) DRD2MAOBKDM1AHPGDDRD3
SCHEMBL6642035 0.93 DRD2 (0.44) DRD2MAOBKDM1AHPGDDRD3
SCHEMBL25318818 0.93 DRD2 (0.44) DRD2MAOBKDM1AHPGDDRD3
SCHEMBL28410550 0.90 DRD2 (0.47) DRD2MAOBKDM1AHPGDDRD3
SCHEMBL27228950 0.89 MAOB (0.43) DRD2MAOBKDM1AHPGDKMT2A
SCHEMBL27232496 0.89 MAOB (0.43) DRD2MAOBKDM1AHPGDKMT2A
SCHEMBL8066651 0.87 DRD2 (0.54) DRD2MAOBKDM1ADRD3ACACB
SCHEMBL25322196 0.87 BTK (0.47) DRD2MAOBKDM1AKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 WO disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 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-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 DRD2 3922/4885MAOB 987/4885KDM1A 2225/4885

“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.