SCHEMBL1829685

SCHEMBL1829685

CCC(C)OC(=O)C(NC(=O)c1cccc(F)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
CTSL P07711 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GPR139 Q6DWJ6 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KCNK3 O14649 1/20 0.41

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
SCHEMBL1828343 0.87 TAS1R3 (0.52) CTSLALDH1A1GPR139GAAPOLB
SCHEMBL5784048 0.86 RAB9A (0.51) CTSLALDH1A1GAASMN1; SMN2TDP1
SCHEMBL5520769 0.86 HDAC1 (0.43) LMNAALDH1A1SMN1; SMN2HDAC1RAB9A
SCHEMBL5784866 0.85 ALDH1A1 (0.51) LMNACTSLALDH1A1GAASMN1; SMN2
SCHEMBL5784579 0.82 HDAC1 (0.47) LMNAALDH1A1HDAC1HDAC6
SCHEMBL1829010 0.79 ITGB1 (0.40) CTSLALDH1A1GPR139
SCHEMBL5782191 0.79 CA2 (0.45) LMNAALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL1829682 0.78 LMNA (0.58) LMNACTSLALDH1A1GPR139GAA
SCHEMBL31445988 0.77 CTSL (0.57) LMNACTSLALDH1A1GPR139GAA
SCHEMBL13702132 0.76 NPSR1 (0.64) LMNACTSLALDH1A1GPR139GAA

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 LMNA 4492/4885CTSL 4546/4885ALDH1A1 1007/4885

“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.