SCHEMBL1705729

SCHEMBL1705729

CC(=O)c1nc(CC(=O)O)co1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.37
GABRB2 P47870 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DAGLA Q9Y4D2 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 2/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL25144893 0.81 FPR3 (0.34) DAGLAFPR3FPR2
SCHEMBL5281143 0.77 CDK8 (0.40) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL17653831 0.73 ALDH1A1 (0.38) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL27917207 0.72 GABRA5 (0.42) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL15284163 0.71 BACE1 (0.33) FPR3FPR2HPGDMAPT
SCHEMBL27935881 0.71 ALDH1A1 (0.39) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL1807276 0.71 CES1 (0.45) DAGLAALDH1A1KDM4EALOX15TDP1
SCHEMBL27545045 0.70 GABRA5 (0.37) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL27926971 0.70 GABRA5 (0.37) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL754504 0.70 NPSR1 (0.42) L3MBTL1LMNAHPGDMAPTTSHR

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 GABRA5 102/4885GABRB2 237/4885HSD17B10 1552/4885

“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.