SCHEMBL2256163

SCHEMBL2256163

CSc1ccc(Cc2c(C)[nH][nH]c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.42
SLC6A4 P31645 8/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
DAO P14920 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL2253149 0.84 SLC6A4 (0.41) SLC6A4DAOALDH1A1MAOANPC1
SCHEMBL2256630 0.82 DAO (0.54) DAOALDH1A1MAPTMEN1KMT2A
SCHEMBL2045757 0.81 DAO (0.41) DAOALDH1A1MAPTMEN1KMT2A
SCHEMBL2252606 0.81 VKORC1 (0.40) VKORC1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL4663323 0.79 PDE3B (0.45) VKORC1DAOALDH1A1MAPTNPSR1
SCHEMBL2257130 0.79 DAO (0.49) DAOALDH1A1MAPTKMT2AHSD17B10
SCHEMBL2050121 0.78 SLC5A2 (0.40) VKORC1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL2251990 0.78 DAO (0.39) DAOALDH1A1RAB9ANPSR1SLC5A1
SCHEMBL1267462 0.77 PTGS2 (0.44) VKORC1SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL2254318 0.77 ERAP1 (0.51) VKORC1DAOALDH1A1MAPTKMT2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989424-B2 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
EP-1354888-B1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES KISSEI PHARMACEUTICAL (JP) 2009-05-20 EP disclosed
US-20090093419-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES KISSEI PHARMACEUTICAL CO. LTD. (JP) 2009-04-09 US disclosed
EP-1364957-B1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-12-31 EP disclosed
US-7465713-B2 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-16 US disclosed
US-7429568-B2 Antidiabetic agents; human SGLT2 (sodium ion / glucose cotransporter 2) inhibitors; hyperglycemia, obesity; 3-(6-O-ethoxycarbonyl- beta -D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-1-isopropyl-5-methylpyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-30 US disclosed
US-7393838-B2 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-01 US disclosed
US-7189702-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 US disclosed
US-7115575-B2 Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-10-03 US disclosed
US-7087579-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20040147729-A1 Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. 2004-07-29 US disclosed
US-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
EP-1432720-A1 O-PYRAZOLE GLUCOSIDE SGLT2 INHIBITORS AND METHOD OF USE Bristol-Myers Squibb Company (US) 2004-06-30 EP disclosed
EP-1213296-B1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2004-04-14 EP disclosed
US-20040063646-A1 Glucopyranosyloxypyrazole derivatives and use thereof in medicines KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1364957-A1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-11-26 EP disclosed
EP-1354888-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES Kissei Pharmaceutical Co., Ltd. (JP) 2003-10-22 EP disclosed
US-20030087843-A1 O-pyrazole glucoside SGLT2 inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2003-05-08 US disclosed
WO-2003020737-A1 O-PYRAZOLE GLUCOSIDE SGLT2 INHIBITORS AND METHOD OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-13 WO disclosed
EP-1213296-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-06-12 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 (5 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-20090093419-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES SLC5A2, SLC5A1, SLC2A4 VKORC1 1919/4885SLC6A4 146/4885SLC6A2 107/4885
US-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs SLC5A2, SLC5A1, SLC2A1 VKORC1 2651/4885SLC6A4 82/4885SLC6A2 64/4885
US-20030087843-A1 O-pyrazole glucoside SGLT2 inhibitors and method of use SLC5A2, SLC5A1, SLC2A1 VKORC1 1777/4885SLC6A4 155/4885SLC6A2 460/4885
US-20040063646-A1 Glucopyranosyloxypyrazole derivatives and use thereof in medicines SLC5A2, SLC5A1, UGGT1 VKORC1 2081/4885SLC6A4 162/4885SLC6A2 117/4885
US-20040147729-A1 Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A1, SLC5A2, UGGT1 VKORC1 1984/4885SLC6A4 197/4885SLC6A2 269/4885

“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.