SCHEMBL1829010

SCHEMBL1829010

CCC(C)OC(=O)C(NC(=O)c1cc(F)ccc1Cl)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
CTSL P07711 1/20 0.39
PSMB5 P28074 1/20 0.38
KCNA5 P22460 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 2/20 0.35
GPR139 Q6DWJ6 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MAPT P10636 1/20 0.34
CTSA P10619 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL5784866 0.81 ALDH1A1 (0.51) CTSLCA1CA2ALDH1A1HPGD
SCHEMBL1829008 0.79 CYP4F2 (0.41) ITGB1ITGA4ITGB7CTSLANO1
SCHEMBL1829685 0.79 LMNA (0.54) CTSLALDH1A1GPR139
SCHEMBL4991288 0.78 CHRM2 (0.39)
SCHEMBL18896227 0.78 ALDH1A1 (0.52) CTSLPSMB5KCNA5ANO1ALDH1A1
SCHEMBL18896189 0.77 KCNA3 (0.47) ITGB1ITGA4ITGB7CTSLANO1
Methylamine SCHEMBL7262148 0.75 KCNA3 (0.45) ITGB1ITGA4ITGB7CTSLANO1
SCHEMBL5784048 0.74 RAB9A (0.51) CTSLALDH1A1HPGDMAPT
SCHEMBL5784579 0.74 HDAC1 (0.47) ALDH1A1TAS1R3TAS1R1
SCHEMBL4985552 0.72 TRPA1 (0.41) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735387-B2 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2014-05-27 US disclosed
EP-2583720-A1 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2013-04-24 EP disclosed
EP-2318415-B1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI SA (FR) 2013-02-20 EP disclosed
US-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2318415-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS Sanofi-Aventis (FR) 2011-05-11 EP disclosed
WO-2010006704-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2010-01-21 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-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS EDNRA, OXGR1, EDF1 ITGB1 1086/4885ITGA4 1945/4885ITGB7 1712/4885

“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.