SCHEMBL4663323

SCHEMBL4663323

Cc1[nH][nH]c(=O)c1Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.45
PDE3A Q14432 4/20 0.45
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.41
DAO P14920 1/20 0.40
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
VKORC1 Q9BQB6 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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 0.85 DAO (0.54) PDE3BPDE3ANPSR1POLBDAO
SCHEMBL2045757 0.84 DAO (0.41) PDE3BPDE3ANPSR1DAOLMNA
SCHEMBL21981585 0.82 DAO (0.51) HPGDNPSR1POLBDAOGAA
SCHEMBL2257130 0.81 DAO (0.49) HSD17B10DAOLMNAMAPTALDH1A1
SCHEMBL2255065 0.79 DAO (0.48) NPSR1POLBDAOTSHRALDH1A1
SCHEMBL2256163 0.79 VKORC1 (0.42) PDE3BPDE3AHPGDNPSR1HSD17B10
SCHEMBL2254318 0.79 ERAP1 (0.51) NPSR1POLBDAOGAALMNA
SCHEMBL2253443 0.79 DAO (0.41) NPSR1DAOGAAALDH1A1SIRT1
SCHEMBL2257545 0.79 MEN1 (0.44) NPSR1POLBHSD17B10DAOLMNA
SCHEMBL2251697 0.78 DAO (0.50) DAOVKORC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364957-B1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-12-31 EP disclosed
US-7189702-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 US disclosed
US-7087579-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20060142209-A1 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. 2006-06-29 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-1364957-A1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-11-26 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 (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-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs SLC5A2, SLC5A1, SLC2A1 PDE3B 746/4885PDE3A 809/4885HPGD 1648/4885
US-20060142209-A1 Glucopyranosyloxypyrazole derivatives and medicinal use thereof SLC5A2, SLC5A1, UGGT1 PDE3B 687/4885PDE3A 809/4885HPGD 1365/4885

“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.