SCHEMBL2225593

SCHEMBL2225593

COc1c(C)cc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.52
BRAF P15056 1/20 0.36
APP P05067 3/20 0.36
SGMS2 Q8NHU3 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CEPT1 Q9Y6K0 2/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CETP P11597 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL2228824 0.88 S1PR1 (0.42) S1PR1APPKDM4EALDH1A1HSD17B10
SCHEMBL2222186 0.88 S1PR1 (0.48) S1PR1APPSGMS2ALDH1A1HSD17B10
SCHEMBL2222684 0.88 S1PR1 (0.48) S1PR1APPSGMS2MAPTLMNA
SCHEMBL2225216 0.87 S1PR1 (0.69) S1PR1MAPTLMNARXFP1CEPT1
SCHEMBL2224059 0.86 S1PR1 (0.51) S1PR1APPSGMS2ALDH1A1HSD17B10
SCHEMBL2228763 0.86 S1PR1 (0.64) S1PR1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL14797013 0.85 S1PR1 (0.57) S1PR1MAPTLMNARXFP1
SCHEMBL2222274 0.85 S1PR1 (0.61) S1PR1MAPTLMNARXFP1CEPT1
SCHEMBL2225375 0.84 S1PR1 (0.44) S1PR1APPKDM4EMAPTLMNA
SCHEMBL14486871 0.84 APP (0.41) S1PR1BRAFAPPSGMS2KDM4E

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 20 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
US-9040544-B2 2,5-substituted oxazolopyrimidine derivatives SANOFI (FR) 2015-05-26 US disclosed
US-9040544-B2 2,5-substituted oxazolopyrimidine derivatives SANOFI (FR) 2015-05-26 US disclosed
US-8846690-B2 Heterocyclic carboxylic acid derivatives having a 2,5-substituted oxazolopyrimidine ring SANOFI (FR) 2014-09-30 US disclosed
EP-2523963-B1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES AS EDG-1 AGONISTS SANOFI SA (FR) 2014-08-27 EP disclosed
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed
US-20130072502-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2013-03-21 US disclosed
US-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2013-03-21 US disclosed
US-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2013-03-21 US 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
EP-2523960-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086081-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
WO-2011086081-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
WO-2011086080-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING 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 (2 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-20130072502-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING OXGR1, EDNRA, EDF1 S1PR1 250/4885BRAF 3802/4885APP 3952/4885
US-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES DPYD, CDK2, CCNT2 S1PR1 1027/4885BRAF 316/4885APP 4250/4885

“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.