SCHEMBL7463702

SCHEMBL7463702

CCCC[C@](N)(CC)COS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.37
CA1 P00915 10/20 0.35
CA2 P00918 10/20 0.35
CA9 Q16790 8/20 0.34
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
SMPD1 P17405 4/20 0.33
TP53 P04637 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL6843768 1.00 FDPS (0.37) FDPSCA1CA2CA9CA12
SCHEMBL349256 0.94 FDPS (0.38) FDPSCA1CA2CA9CA12
SCHEMBL17506156 0.85 CA1 (0.38) FDPSCA1CA2CA9CA12
SCHEMBL11652653 0.84 CA1 (0.33) CA1CA2CA9
SCHEMBL6843770 0.80 RECQL (0.43) FDPSCA1CA2CA9CA12
SCHEMBL7463706 0.80 RECQL (0.43) FDPSCA1CA2CA9CA12
SCHEMBL3600608 0.80 FDPS (0.39) FDPSCA1CA2CA9CA12
SCHEMBL1486848 0.79 FDPS (0.41) FDPSCA1CA2CA9CA12
Sulfuric Acid SCHEMBL3118006 0.78 FDPS (0.46) FDPSCA1CA2CA9SMPD1
SCHEMBL13997141 0.77 CA2 (0.33) CA1CA2CA9CA7CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177600-B1 SYNTHESIS OF BENZOTHIAZEPINES GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-05-23 EP claimed
US-9834529-B2 Synthesis of benzothiazepines GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-12-05 US claimed
US-20170210717-A1 SYNTHESIS OF BENZOTHIAZEPINES GlaxSmithKline Intellectual Propety (No.2) Limited (GB) 2017-07-27 US claimed
EP-3177600-A1 SYNTHESIS OF BENZOTHIAZEPINES Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-06-14 EP claimed
WO-2016020785-A1 SYNTHESIS OF BENZOTHIAZEPINES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-02-11 WO claimed
EP-3177600-B1 SYNTHESIS OF BENZOTHIAZEPINES GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-05-23 EP disclosed
US-9834529-B2 Synthesis of benzothiazepines GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-12-05 US disclosed
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
US-20170210717-A1 SYNTHESIS OF BENZOTHIAZEPINES GlaxSmithKline Intellectual Propety (No.2) Limited (GB) 2017-07-27 US disclosed
EP-3177600-A1 SYNTHESIS OF BENZOTHIAZEPINES Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-06-14 EP disclosed
WO-2016020785-A1 SYNTHESIS OF BENZOTHIAZEPINES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-02-11 WO disclosed
EP-0775126-B1 HYPOLIPIDEMIC 1,4-BENZOTHIAZEPINE-1,1-DIOXIDES WELLCOME FOUND (GB) 2002-10-30 EP disclosed
EP-1203769-A1 Hypolipidemic 1,4-benzothiazepine derivative THE WELLCOME FOUNDATION LIMITED (GB) 2002-05-08 EP disclosed
US-5910494-A NOVEL COMPOUNDS THAT REDUCE THE ABSORPTION OF BILE ACIDS FROM THE INTESTINE; FOR PROPHYLAXIS AND TREATMENT OF HYPERLIPIDEMIC CONDITIONS, SUCH AS ATHEROSCLEROSIS GLAXO WELLCOME INC. (US) 1999-06-08 US disclosed
EP-0775126-A1 HYPOLIPIDEMIC 1,4-BENZOTHIAZEPINE-1,1-DIOXIDES THE WELLCOME FOUNDATION LIMITED (GB) 1997-05-28 EP disclosed
WO-1996005188-A1 HYPOLIPIDEMIC 1,4-BENZOTHIAZEPINE-1,1-DIOXIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-22 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-20170210717-A1 SYNTHESIS OF BENZOTHIAZEPINES GABBR1, GABRE, GABBR2 FDPS 426/4885CA1 2494/4885CA2 3713/4885

“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.