SCHEMBL2226787

SCHEMBL2226787

O=C(O)COc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.51
PPARG P37231 3/20 0.44
PPARA Q07869 1/20 0.44
PPARD Q03181 3/20 0.43
FFAR1 O14842 1/20 0.43
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ACACA Q13085 1/20 0.40
S1PR5 Q9H228 1/20 0.39
AOC3 Q16853 2/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
CETP P11597 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL14797138 0.89 FFAR4 (0.46) S1PR1PPARGPPARAPPARDFFAR1
SCHEMBL14797019 0.86 S1PR1 (0.56) S1PR1PPARGPPARAPPARDFFAR1
SCHEMBL14797338 0.85 FFAR4 (0.49) S1PR1PPARGPPARAPPARDFFAR1
SCHEMBL2225216 0.85 S1PR1 (0.69) S1PR1PPARGPPARAPPARDFFAR1
SCHEMBL2227122 0.84 POLB (0.46) S1PR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2223582 0.84 S1PR1 (0.47) S1PR1PPARGPPARAPPARDFFAR1
SCHEMBL2227123 0.84 HPGD (0.43) S1PR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2225045 0.83 PPARG (0.47) S1PR1PPARGPPARAPPARDALDH1A1
SCHEMBL2223379 0.83 PPARG (0.46) S1PR1PPARGPPARAPTPN1
SCHEMBL14777269 0.83 GYS1 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846692-B2 Carboxylic acid derivatives having a 2,5-substituted oxazolopyrimidine ring SANOFI (FR) 2014-09-30 US disclosed
EP-2523962-B1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-11-27 EP disclosed
US-20130079358-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2013-03-28 US disclosed
EP-2523962-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086079-A1 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 (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-20130079358-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING OXGR1, EDNRA, EDF1 S1PR1 129/4885PPARG 334/4885PPARA 432/4885

“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.