SCHEMBL727061

SCHEMBL727061

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 2/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 6/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL728401 0.86 NPC1 (0.56) ALDH1A1SMN1; SMN2CYP2C19POLBPPARG
SCHEMBL7540831 0.84 CYP2C19 (0.63) ALDH1A1SMN1; SMN2CYP2C19POLBPPARG
SCHEMBL31271035 0.83 TSHR (0.52) TSHRALDH1A1SMN1; SMN2POLBPPARG
SCHEMBL229080 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP2C19POLBCYP2C9
SCHEMBL728339 0.82 KMT2A (0.60) TSHRALDH1A1SMN1; SMN2CYP2C19POLB
SCHEMBL10897841 0.82 KMO (0.45) ALDH1A1SMN1; SMN2CYP2C19POLBPPARG
SCHEMBL9855072 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP2C19POLBPPARG
SCHEMBL9854865 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP2C19POLBPPARG
SCHEMBL728099 0.81 TSHR (0.55) TSHRALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL9854860 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP2C19POLBPPARG

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 TSHR 2567/4885ALDH1A1 1018/4885SMN1; SMN2 4651/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT TSHR 2294/4885ALDH1A1 705/4885SMN1; SMN2 4447/4885

“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.