SCHEMBL1831208

SCHEMBL1831208

CCCOc1nc(CN2CCOCC2)nc2oc(-c3cccc(OC(=O)C(F)(F)F)c3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PIK3CA P42336 3/20 0.34
USP2 O75604 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.34
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
EPHX1 P07099 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 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
Trifluoroacetic Acid SCHEMBL1831202 0.87 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL1829292 0.86 SLC2A1 (0.43) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL1829200 0.84 PDE4B (0.42) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL1831078 0.84 ALDH1A1 (0.39) ALDH1A1MAPTRAB9ALMNAHTT
Trifluoroacetic Acid SCHEMBL1829567 0.81 ADORA2A (0.36) ALDH1A1MAPTRAB9ALMNAMEN1
Trifluoroacetic Acid SCHEMBL1829337 0.78 KCNJ1 (0.35) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL1829351 0.77 KDM4E (0.40) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL1830594 0.76 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ALMNAMEN1
Trifluoroacetic Acid SCHEMBL1829821 0.76 PDE2A (0.36) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL1830239 0.73 ADORA2A (0.38) ALDH1A1MAPTRAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735387-B2 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2014-05-27 US disclosed
EP-2583720-A1 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2013-04-24 EP disclosed
EP-2318415-B1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI SA (FR) 2013-02-20 EP disclosed
US-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2318415-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS Sanofi-Aventis (FR) 2011-05-11 EP disclosed
WO-2010006704-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2010-01-21 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-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS EDNRA, OXGR1, EDF1 ALDH1A1 1007/4885MAPT 4276/4885RAB9A 4635/4885

“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.