SCHEMBL1828343

SCHEMBL1828343

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
ATM Q13315 1/20 0.51
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CTSL P07711 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AGTR2 P50052 1/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 1/20 0.42
KCNK3 O14649 1/20 0.42

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
SCHEMBL5784048 0.87 RAB9A (0.51) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL5520769 0.87 HDAC1 (0.43) TAS1R3TAS1R1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1829685 0.87 LMNA (0.54) ALDH1A1KDM4ESMN1; SMN2CTSLGPR139
SCHEMBL27881880 0.86 TAS1R3 (0.58) TAS1R3TAS1R1ATMALDH1A1MAPT
SCHEMBL5782191 0.85 CA2 (0.45) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL5784579 0.81 HDAC1 (0.47) TAS1R3TAS1R1ALDH1A1HTTHDAC6
SCHEMBL17141100 0.79 TAS1R3 (0.59) TAS1R3TAS1R1ATMALDH1A1MAPT
SCHEMBL17140599 0.79 TAS1R3 (0.59) TAS1R3TAS1R1ATMALDH1A1MAPT
SCHEMBL1828342 0.79 TAS1R3 (0.62) TAS1R3TAS1R1ATMALDH1A1MAPT
SCHEMBL5784866 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CTSLGAANPC1

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-8785439-B2 2,5,7-substituted oxazolopyrimidine derivatives SANOFI (FR) 2014-07-22 US disclosed
US-8735387-B2 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2014-05-27 US disclosed
US-20130137685-A1 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2013-05-30 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 (2 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-20130137685-A1 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES DPYD, UNG, CDK2 TAS1R3 2442/4885TAS1R1 2007/4885ATM 1145/4885
US-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS EDNRA, OXGR1, EDF1 TAS1R3 807/4885TAS1R1 410/4885ATM 3687/4885

“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.