SCHEMBL2583782

SCHEMBL2583782

CS(=O)(=O)OC1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 2/20 0.58
HRH3 Q9Y5N1 1/20 0.36
ACHE P22303 2/20 0.35
EPHX1 P07099 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 3/20 0.32
USP2 O75604 2/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
PTGS2 P35354 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
NAAA Q02083 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL275547 1.00 CA1 (0.58) CA1CA2HRH3ACHEEPHX1
SCHEMBL17088827 1.00 CA1 (0.58) CA1CA2HRH3ACHEEPHX1
SCHEMBL18828734 1.00 CA1 (0.58) CA1CA2HRH3ACHEEPHX1
SCHEMBL8370841 1.00 CA1 (0.58) CA1CA2HRH3ACHEEPHX1
SCHEMBL14779905 1.00 CA1 (0.58) CA1CA2HRH3ACHEEPHX1
SCHEMBL8366305 1.00 CA1 (0.58) CA1CA2HRH3ACHEEPHX1
SCHEMBL28839918 0.97 CA1 (0.56) CA1CA2HRH3ACHEEPHX1
SCHEMBL276820 0.97 CA1 (0.54) CA1CA2HRH3ACHEEPHX1
SCHEMBL10727963 0.93 CA1 (0.52) CA1CA2HRH3ACHEEPHX1
Trimethylammonium SCHEMBL21268541 0.93 CA1 (0.52) CA1CA2HRH3ACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
WO-2013088452-A2 QUINOLINE DERIVATIVES AS RENIN INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-06-20 WO disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP disclosed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 WO disclosed
US-7217697-B2 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1400529-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-03-24 EP disclosed
EP-0156245-A1 7-oxabicycloheptane substituted prostaglandin interphenylene analogs E.R. Squibb & Sons, Inc. (US) 1985-10-02 EP disclosed
US-4536513-A 7-Oxabicycloheptane substituted prostaglandin interphenylene analogs useful in the treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-08-20 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 (2 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 CA1 4252/4885CA2 3783/4885HRH3 28/4885
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor SLC5A1, SLC5A2, UGGT1 CA1 3529/4885CA2 1839/4885HRH3 4269/4885

“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.