SCHEMBL460814

SCHEMBL460814

COC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)N(C(=O)c3ccc(O[C@H]4CC[C@@H](C(=O)OC)CC4)cc3)c3ccc(NC4CCCC4)nn3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.45
EPHX2 P34913 3/20 0.40
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HCAR3 P49019 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL460813 1.00 DGAT1 (0.45) DGAT1EPHX2PDGFRBPDGFRAHCAR3
SCHEMBL461185 0.84 DGAT1 (0.57) DGAT1EPHX2PDGFRBPDGFRAHCAR3
SCHEMBL461184 0.84 DGAT1 (0.57) DGAT1EPHX2PDGFRBPDGFRAHCAR3
SCHEMBL14973850 0.84 DGAT1 (0.46) DGAT1EPHX2ALDH1A1MAPTTRPM8
SCHEMBL14973846 0.84 DGAT1 (0.46) DGAT1EPHX2ALDH1A1MAPTTRPM8
SCHEMBL460812 0.81 DGAT1 (0.43) DGAT1EPHX2PDGFRBPDGFRAMEN1
SCHEMBL14984452 0.78 MEN1 (0.44) DGAT1MEN1KMT2AALDH1A1NPC1
SCHEMBL14987730 0.76 DGAT1 (0.46) DGAT1EPHX2MEN1KMT2AALDH1A1
SCHEMBL435426 0.74 DGAT1 (0.71) DGAT1EPHX2HCAR3ALDH1A1LMNA
SCHEMBL436890 0.74 DGAT1 (0.71) DGAT1EPHX2HCAR3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 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-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L DGAT1 4152/4885EPHX2 869/4885PDGFRB 1905/4885

“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.