SCHEMBL2228588

SCHEMBL2228588

COc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.40
NPC1 O15118 2/20 0.40
GSK3B P49841 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
APP P05067 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 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
SCHEMBL2229154 0.87 ESR1 (0.47) S1PR1HDAC1HDAC8HDAC6HDAC5
SCHEMBL2228824 0.87 S1PR1 (0.42) S1PR1NPC1KDM4EALDH1A1HPGD
SCHEMBL2223582 0.85 S1PR1 (0.47) S1PR1
SCHEMBL2228838 0.82 HPGD (0.47) S1PR1NPC1KDM4EALDH1A1HPGD
SCHEMBL2225593 0.80 S1PR1 (0.52) S1PR1NPC1KDM4EALDH1A1HPGD
SCHEMBL2225375 0.79 S1PR1 (0.44) S1PR1KDM4EAPP
SCHEMBL2224473 0.78 NPC1 (0.40) S1PR1NPC1ALDH1A1HPGDAPP
SCHEMBL2228881 0.78 ESR1 (0.38) S1PR1NPC1HDAC6APP
SCHEMBL15310299 0.78 S1PR1 (0.47) S1PR1HPGD
SCHEMBL15310300 0.77 HPGD (0.41) S1PR1HPGD

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 4602/4885GSK3B 540/4885

“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.