SCHEMBL17598632

SCHEMBL17598632

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
DRD3 P35462 2/20 0.43
BTK Q06187 1/20 0.43
EPHX1 P07099 2/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 2/20 0.40
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL707674 1.00 DRD2 (0.46) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL1670919 1.00 DRD2 (0.46) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL24456007 0.95 BTK (0.47) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL3901760 0.95 BTK (0.47) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL1498385 0.87 DRD2 (0.45) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL1498493 0.87 DRD2 (0.45) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL1498384 0.87 DRD2 (0.45) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL21107181 0.86 DRD2 (0.40) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL21070900 0.86 DRD2 (0.40) DRD2DRD3BTKEPHX1KDM1A
SCHEMBL21071389 0.86 DRD2 (0.40) DRD2DRD3BTKEPHX1KDM1A

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
EP-2995617-B1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS SHANGHAI INST PHARMACEUTICAL IND (CN) 2018-01-31 EP disclosed
US-9550741-B2 Benzoisothiazole compounds and methods of treating schizophrenia SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2017-01-24 US disclosed
US-20160096811-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS SHANAGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-04-07 US disclosed
EP-2995617-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS Shanghai Institute of Pharmaceutical Industry (CN) 2016-03-16 EP 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-20160096811-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS HTR3A, SLC6A3, HTR5A DRD2 10/4885DRD3 5/4885BTK 3990/4885

“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.