Sugi Predict

Sugi Predict / Compounds / SCHEMBL2229154

SCHEMBL2229154

SCHEMBL2229154

Oc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.47
▸ ESR2 Q92731 7/20 0.47
▸ S1PR1 P21453 5/20 0.38
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ MRGPRX1 Q96LB2 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ CETP P11597 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ HSPD1 P10809 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN5 P54829 1/20 0.34

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
SCHEMBL2228588 0.87 S1PR1 (0.40) S1PR1HDAC1HDAC8HDAC6HDAC5
SCHEMBL2225375 0.86 S1PR1 (0.44) ESR1ESR2S1PR1POLBGAA
SCHEMBL2223582 0.84 S1PR1 (0.47) S1PR1CETPS1PR3
SCHEMBL2228881 0.83 ESR1 (0.38) ESR1ESR2S1PR1HDAC6POLB
SCHEMBL2222684 0.79 S1PR1 (0.48) S1PR1MRGPRX1POLBGAAKMT2A
SCHEMBL2224473 0.79 NPC1 (0.40) ESR1ESR2S1PR1POLBGAA
SCHEMBL2223451 0.78 S1PR1 (0.45) ESR1ESR2S1PR1MRGPRX1CETP
SCHEMBL2228824 0.78 S1PR1 (0.42) S1PR1
SCHEMBL15310299 0.77 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL2228838 0.76 HPGD (0.47) S1PR1KMT2A

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 8 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

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 ESR1 1897/4885ESR2 1969/4885S1PR1 1027/4885

“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.