SCHEMBL1706134

SCHEMBL1706134

CC(=O)c1cnc(CC(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
USP7 Q93009 1/20 0.40
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
RECQL P46063 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GSK3B P49841 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL18588873 0.81 ALDH1A1 (0.44) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL6127287 0.79 ALDH1A1 (0.42) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL6199061 0.77 SLC6A3 (0.44) RAB9ASMN1; SMN2NPC1HCAR2ERCC5
SCHEMBL21332912 0.76 CCNE1 (0.56) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL19014339 0.75 ALDH1A1 (0.40) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL9298086 0.75 HDAC6 (0.46) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL5860060 0.73 ALDH1A1 (0.41) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL17204603 0.72 HCAR2 (0.50) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL4781387 0.70
SCHEMBL854956 0.70

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 CCNE1 2036/4885CDK2 2672/4885CDK5 3340/4885

“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.