SCHEMBL2045757

SCHEMBL2045757

CCc1ccc(Cc2c(C)[nH][nH]c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.41
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
MGLL Q99685 2/20 0.35
PLK1 P53350 1/20 0.35
SOD1 P00441 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2256630 0.87 DAO (0.54) DAOALDH1A1NPSR1PDE3BPDE3A
SCHEMBL21981585 0.84 DAO (0.51) DAOALDH1A1NPSR1MAPTMEN1
SCHEMBL4663323 0.84 PDE3B (0.45) DAOALDH1A1NPSR1PDE3BPDE3A
SCHEMBL2251668 0.82 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTMEN1LMNA
SCHEMBL2253149 0.82 SLC6A4 (0.41) DAOALDH1A1NPSR1PDE3BPDE3A
SCHEMBL2254318 0.81 ERAP1 (0.51) DAOALDH1A1NPSR1MAPTLMNA
SCHEMBL2257545 0.81 MEN1 (0.44) DAOALDH1A1NPSR1MAPTMEN1
SCHEMBL2253443 0.81 DAO (0.41) DAOALDH1A1NPSR1MEN1KMT2A
SCHEMBL2255065 0.81 DAO (0.48) DAOALDH1A1NPSR1
SCHEMBL2251697 0.80 DAO (0.50) DAOMAPT

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 46 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
US-7956041-B2 antidiabetic mixture contains an inhibitor of renal glucose reabsorption and a hypoglycemic agent; controlling blood glucose level; tolbutamide, chlorpropamide, glibenclamide, glipizide, glimepiride, and gliclazide; metformin, phenformin and buformin; repaglinide, nateglinide and mitiglinide AJINOMOTO CO., INC. (JP) 2011-06-07 US disclosed
EP-2163555-A1 New pyrazole derivatives and diabetic medicine containing them Ajinomoto Co., Inc. (JP) 2010-03-17 EP disclosed
US-20100063124-A1 NEW PYRAZOLE DERIVATIVES AND DIABETIC MEDICINE CONTAINING THEM AJINOMOTO CO., INC. (JP) 2010-03-11 US disclosed
US-7645787-B2 Pyrazole derivatives and diabetic medicine containing them AJINOMOTO CO., INC. (JP) 2010-01-12 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-7439232-B2 Heteroaryl 5-thio-β-D-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-6815428-B2 AS DIABETIC-MEDICINE WHICH IS EASY TO SYNTHESIZE, LESS TOXIC AND HAS HIGHER CURATIVE EFFECT AJINOMOTO CO., INC. (JP) 2004-11-09 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-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
US-20040006025-A1 Pyrazole derivatives and diabetic medicine containing them AJINOMOTO CO. INC (JP) 2004-01-08 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
EP-1338603-A1 NOVEL PYRAZOLE DERIVATIVES AND DIABETES REMEDIES CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2003-08-27 EP 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 (6 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-20040006025-A1 Pyrazole derivatives and diabetic medicine containing them SLC5A2, SLC5A1, DPP4 DAO 2356/4885ALDH1A1 437/4885NPSR1 2499/4885
US-20090093419-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND USE THEREOF IN MEDICINES SLC5A2, SLC5A1, SLC2A4 DAO 873/4885ALDH1A1 1040/4885NPSR1 1689/4885
US-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs SLC5A2, SLC5A1, SLC2A1 DAO 918/4885ALDH1A1 596/4885NPSR1 2922/4885
US-20100063124-A1 NEW PYRAZOLE DERIVATIVES AND DIABETIC MEDICINE CONTAINING THEM DPP4, SLC5A2, SLC5A1 DAO 1688/4885ALDH1A1 921/4885NPSR1 2467/4885
US-20040063646-A1 Glucopyranosyloxypyrazole derivatives and use thereof in medicines SLC5A2, SLC5A1, UGGT1 DAO 946/4885ALDH1A1 1121/4885NPSR1 2090/4885
US-20040147729-A1 Glucopyranosyloxypyrazole derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A1, SLC5A2, UGGT1 DAO 1139/4885ALDH1A1 352/4885NPSR1 2893/4885

“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.