SCHEMBL728339

SCHEMBL728339

CCOC(=O)C(CC(=O)c1ccccc1)SCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MMP8 P22894 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
METAP2 P50579 1/20 0.40

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
SCHEMBL727061 0.82 TSHR (0.53) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL10921970 0.80 KMT2A (0.63) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL728386 0.80 KMT2A (0.63) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL6014923 0.79 KMT2A (0.75) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL10830586 0.77 KMT2A (0.73) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL7366107 0.77 ALDH1A1 (0.55) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL726567 0.77 KMT2A (0.66) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL11770013 0.76 POLB (0.64) NPC1POLBALDH1A1CYP2C9CYP1A2
SCHEMBL5549102 0.76 KMT2A (0.71) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL728401 0.76 NPC1 (0.56) NPC1POLBALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4813800-B2 2011-11-09 JP claimed
US-7727977-B2 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-01 US 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
CN-1735410-A Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islet cells MERCK PATENT GMBH (DE) 2006-02-15 CN claimed
CN-1735411-A Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GMBH (DE) 2006-02-15 CN 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
US-7727977-B2 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-01 US disclosed
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
CN-1735410-A Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islet cells MERCK PATENT GMBH (DE) 2006-02-15 CN disclosed
CN-1735411-A Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GMBH (DE) 2006-02-15 CN 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

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 KMT2A 270/4885NPC1 3769/4885MEN1 2965/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT KMT2A 612/4885NPC1 3230/4885MEN1 3066/4885

“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.