SCHEMBL1828517

SCHEMBL1828517

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
MAPT P10636 5/20 0.33
TP53 P04637 4/20 0.33
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CETP P11597 2/20 0.31
THRB P10828 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1830536 0.93 S1PR1 (0.36) S1PR1MAPTTP53HPGDNPSR1
SCHEMBL1829870 0.91 S1PR1 (0.40) S1PR1MAPTTP53HPGDNPSR1
SCHEMBL1829092 0.87 S1PR1 (0.46) S1PR1EGLN1KDM4E
SCHEMBL1828317 0.86 S1PR1 (0.39) S1PR1MAPTTP53HPGDNPSR1
SCHEMBL1829825 0.85 S1PR1 (0.41) S1PR1MAPTTP53HPGDNPSR1
SCHEMBL1829903 0.82 DHPS (0.34) S1PR1HPGDHSD17B10KDM4E
SCHEMBL1828719 0.81 S1PR1 (0.38) S1PR1HPGDSMN1; SMN2CYP3A4EGLN1
SCHEMBL1832226 0.80 MAPK1 (0.38) S1PR1MAPTHPGDHSD17B10SMN1; SMN2
SCHEMBL1828791 0.80 S1PR1 (0.38) S1PR1
SCHEMBL1829171 0.80 ALOX5 (0.36) S1PR1MAPTHPGDHSD17B10EGLN1

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 S1PR1 49/4885MAPT 4276/4885TP53 4395/4885

“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.