SCHEMBL19170232

SCHEMBL19170232

CCCC[C@]1(CC)CSc2cc(OS(C)(=O)=O)c(OC)cc2C(c2ccccc2)=N1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SLC10A2 Q12908 3/20 0.32
MAPK10 P53779 1/20 0.31

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
SCHEMBL7472192 0.92 SLC10A2 (0.33) SLC10A2MAPK10
SCHEMBL7470085 0.92 SLC10A2 (0.33) SLC10A2MAPK10
SCHEMBL17506154 0.91 DRD2 (0.32) SLC10A2
SCHEMBL17506155 0.91 DRD2 (0.32) SLC10A2
SCHEMBL2589232 0.84 SLC10A2 (0.33) SLC10A2
SCHEMBL2589094 0.83 MAOA (0.37)
SCHEMBL2585237 0.82 MAPK1 (0.32) MAPK10
SCHEMBL7469254 0.80 EGFR (0.40) SLC10A2
SCHEMBL7463854 0.80 EGFR (0.40) SLC10A2
SCHEMBL2589896 0.79 MAPK1 (0.35) SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834529-B2 Synthesis of benzothiazepines GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-12-05 US disclosed
US-20170210717-A1 SYNTHESIS OF BENZOTHIAZEPINES GlaxSmithKline Intellectual Propety (No.2) Limited (GB) 2017-07-27 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-20170210717-A1 SYNTHESIS OF BENZOTHIAZEPINES GABBR1, GABRE, GABBR2 CDK4 709/4885CCND1 1174/4885CA1 2494/4885

“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.