SCHEMBL728227

SCHEMBL728227

O=C(CC(C(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.88
KMT2A Q03164 4/20 0.85
CYP2C9 P11712 2/20 0.80
CYP2C19 P33261 2/20 0.80
L3MBTL1 Q9Y468 2/20 0.61
MEN1 O00255 3/20 0.60
CYP2D6 P10635 1/20 0.54
GSK3B P49841 2/20 0.50
PDPK1 O15530 1/20 0.50
MAPK9 P45984 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49

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
SCHEMBL7823312 0.94 POLB (1.00) POLBKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL7821921 0.93 POLB (0.77) POLBKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL15075817 0.93 POLB (0.77) POLBKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL15075815 0.93 POLB (0.77) POLBKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL7828782 0.92 KMT2A (1.00) POLBKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL7824342 0.92 KMT2A (1.00) POLBKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL7822144 0.92 POLB (1.00) POLBKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL7824145 0.89 CYP2C9 (1.00) POLBKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL7826503 0.88 POLB (0.69) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL7820427 0.84 KMT2A (0.86) POLBKMT2ACYP2C9CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4813800-B2 2011-11-09 JP claimed
EP-1581215-B1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2010-02-17 EP claimed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US claimed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
EP-1581215-B1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2010-02-17 EP disclosed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US disclosed
US-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells MERCK PATENT GMBH (DE) 2006-03-09 US disclosed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO disclosed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells KYNU, KMO, IDO1 POLB 3568/4885KMT2A 270/4885CYP2C9 2647/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT POLB 3572/4885KMT2A 612/4885CYP2C9 706/4885

“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.