SCHEMBL1829092

SCHEMBL1829092

CCCOc1nc(Cc2ccc(Cl)cc2)nc2oc(-c3cc(C)c(OCC(=O)O)c(C)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
ALOX5 P09917 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PPARD Q03181 6/20 0.34
PPARG P37231 4/20 0.34
PPARA Q07869 2/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
PTPN1 P18031 1/20 0.33
MAPK1 P28482 1/20 0.32
DHODH Q02127 1/20 0.32
ADK P55263 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1828317 0.93 S1PR1 (0.39) S1PR1PPARGPPARAKDM4EHTT
SCHEMBL1829870 0.93 S1PR1 (0.40) S1PR1EGLN1PPARGPPARAKDM4E
SCHEMBL1828719 0.92 S1PR1 (0.38) S1PR1EGLN1PPARGPPARAMAPK1
SCHEMBL1829903 0.90 DHPS (0.34) S1PR1ALOX5KDM4EHTTMAPK1
SCHEMBL1830536 0.90 S1PR1 (0.36) S1PR1PTPN1
SCHEMBL1832226 0.89 MAPK1 (0.38) S1PR1PPARGPPARAKDM4EHTT
SCHEMBL1828517 0.87 S1PR1 (0.35) S1PR1EGLN1KDM4E
SCHEMBL1829171 0.87 ALOX5 (0.36) S1PR1ALOX5EGLN1PPARGPPARA
SCHEMBL1829825 0.86 S1PR1 (0.41) S1PR1EGLN1ALDH1A1
SCHEMBL1829019 0.86 MAPK1 (0.31) S1PR1KDM4EHTTMAPK1ALDH1A1

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 11 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
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-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
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
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
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 S1PR1 49/4885ALOX5 1101/4885EGLN1 889/4885

“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.