SCHEMBL1706391

SCHEMBL1706391

CC(=O)c1csc(CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.52
GSK3B P49841 1/20 0.47
CA2 P00918 1/20 0.44
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 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
SCHEMBL13185510 0.80 GSK3B (0.44) DAOGSK3BCA2TP53RAB9A
SCHEMBL2331028 0.80 DAO (0.47) DAOCA2TP53RAB9AUSP2
SCHEMBL10447678 0.80 DAO (0.50) DAOGSK3BCA2TP53RAB9A
SCHEMBL15135063 0.79 HSD17B10 (0.51) DAOGSK3BCA2TP53RAB9A
SCHEMBL11636124 0.78 GSK3B (0.49) DAOGSK3BCA2TP53RAB9A
SCHEMBL22485487 0.78 CA2 (0.50) DAOGSK3BCA2TP53RAB9A
SCHEMBL1551106 0.76 DAO (0.50) DAOUSP2MAPTKMT2APOLB
SCHEMBL30571177 0.74 RPS6KB2 (0.49) DAOCA2MAPTKMT2APOLB
SCHEMBL1492936 0.74 CES2 (0.45) DAOGSK3BUSP2KMT2APOLB
SCHEMBL5818131 0.73 DAO (0.47) DAOTP53RAB9AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803237-B Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2014-09-24 CN disclosed
US-8674111-B2 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-18 US disclosed
EP-2440536-B1 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
CN-102803237-A Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2012-11-28 CN disclosed
US-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2440536-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
WO-2010143158-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 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 (1 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-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX1, GLP1R, P2RX7 DAO 623/4885GSK3B 2058/4885CA2 1701/4885

“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.