SCHEMBL460812

SCHEMBL460812

COC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)N(C(=O)c3ccccc3)c3nnc(NC4CCCC4)cc3O[C@H]3CC[C@@H](C(=O)OC)CC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.43
EPHX2 P34913 3/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE5A O76074 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPT P10636 2/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 1/20 0.34
LMNA P02545 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
SCHEMBL14973845 0.88 DGAT1 (0.44) DGAT1EPHX2PDE4APDE4BPDE4C
SCHEMBL460814 0.81 DGAT1 (0.45) DGAT1EPHX2ALDH1A1PDGFRBPDGFRA
SCHEMBL460813 0.81 DGAT1 (0.45) DGAT1EPHX2ALDH1A1PDGFRBPDGFRA
SCHEMBL461185 0.75 DGAT1 (0.57) DGAT1EPHX2PDE4DALDH1A1PDGFRB
SCHEMBL461184 0.75 DGAT1 (0.57) DGAT1EPHX2PDE4DALDH1A1PDGFRB
SCHEMBL14973846 0.73 DGAT1 (0.46) DGAT1EPHX2ALDH1A1MAPTLPAR1
SCHEMBL14973850 0.73 DGAT1 (0.46) DGAT1EPHX2ALDH1A1MAPTLPAR1
SCHEMBL14984452 0.70 MEN1 (0.44) DGAT1ALDH1A1LPAR1LPAR5MEN1
SCHEMBL14987730 0.69 DGAT1 (0.46) DGAT1EPHX2ALDH1A1MAPTMEN1
SCHEMBL2469592 0.69 ALDH1A1 (0.49) DGAT1EPHX2ALDH1A1MAPTFAAH

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 869/4885PDE4A 1551/4885

“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.