SCHEMBL2228824

SCHEMBL2228824

COc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
NPC1 O15118 3/20 0.42
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALOX5 P09917 1/20 0.38
APP P05067 3/20 0.37
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.36
S1PR5 Q9H228 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL2225593 0.88 S1PR1 (0.52) S1PR1NPC1PDGFRBPDGFRAALDH1A1
SCHEMBL2225375 0.88 S1PR1 (0.44) S1PR1KDM4EAPPLMNAMAPT
SCHEMBL2228588 0.87 S1PR1 (0.40) S1PR1NPC1PDGFRBPDGFRAALDH1A1
SCHEMBL14797019 0.86 S1PR1 (0.56) S1PR1HPGDS1PR5SMN1; SMN2NPSR1
SCHEMBL2222684 0.85 S1PR1 (0.48) S1PR1ALOX5APPLMNAMAPT
SCHEMBL2222186 0.85 S1PR1 (0.48) S1PR1ALDH1A1HPGDAPPHSD17B10
SCHEMBL2228838 0.84 HPGD (0.47) S1PR1NPC1PDGFRBPDGFRAALDH1A1
SCHEMBL15966903 0.84 S1PR1 (0.42) S1PR1APPLMNAMAPTRXFP1
SCHEMBL2224473 0.80 NPC1 (0.40) S1PR1NPC1ALDH1A1HPGDAPP
SCHEMBL2228881 0.80 ESR1 (0.38) S1PR1NPC1APPRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040544-B2 2,5-substituted oxazolopyrimidine derivatives SANOFI (FR) 2015-05-26 US claimed
EP-2523963-B1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES AS EDG-1 AGONISTS SANOFI SA (FR) 2014-08-27 EP claimed
US-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2013-03-21 US claimed
EP-2523963-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2012-11-21 EP claimed
WO-2011086081-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-07-21 WO claimed
US-9040544-B2 2,5-substituted oxazolopyrimidine derivatives SANOFI (FR) 2015-05-26 US disclosed
EP-2523963-B1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES AS EDG-1 AGONISTS SANOFI SA (FR) 2014-08-27 EP disclosed
US-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2013-03-21 US disclosed
EP-2523963-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086081-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-07-21 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-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES DPYD, CDK2, CCNT2 S1PR1 1027/4885NPC1 4602/4885PDGFRB 221/4885

“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.