SCHEMBL1829019

SCHEMBL1829019

CCCOc1nc(Cc2ccc(Cl)cc2)nc2oc(-c3cc(C)c(OCCCBr)c(C)c3)nc12

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.31
S1PR1 P21453 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1829903 0.91 DHPS (0.34) MAPK1S1PR1LMNAHTTHSD17B10
SCHEMBL1832226 0.89 MAPK1 (0.38) MAPK1S1PR1LMNAHTTHSD17B10
SCHEMBL1828719 0.88 S1PR1 (0.38) MAPK1S1PR1HPGD
SCHEMBL1829061 0.88 DRD4 (0.31) MAPK1S1PR1LMNAHTTHSD17B10
SCHEMBL1829171 0.86 ALOX5 (0.36) MAPK1S1PR1LMNAHTTHSD17B10
SCHEMBL1828317 0.86 S1PR1 (0.39) MAPK1S1PR1LMNAHTTHSD17B10
SCHEMBL1829092 0.86 S1PR1 (0.46) MAPK1S1PR1HTTKDM4EALDH1A1
SCHEMBL1829893 0.85 HRH3 (0.37) MAPK1LMNAKDM4EALDH1A1
SCHEMBL1829491 0.85 S1PR1 (0.39) MAPK1S1PR1KDM4EALDH1A1HPGD
SCHEMBL1828664 0.84 KMT2A (0.34) MAPK1S1PR1LMNAHTTHSD17B10

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 MAPK1 742/4885S1PR1 49/4885LMNA 4492/4885

“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.