SCHEMBL459828

SCHEMBL459828

COC(=O)[C@H]1CC[C@@H](Oc2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.65
MAP4K4 O95819 1/20 0.56
SENP8 Q96LD8 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
PARP2 Q9UGN5 2/20 0.49
PARP4 Q9UKK3 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PARP1 P09874 1/20 0.49
EPHX2 P34913 2/20 0.48
FAAH O00519 1/20 0.48
CHEK2 O96017 3/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PARP15 Q460N3 2/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL459829 1.00 PARP10 (0.65) PARP10MAP4K4SENP8SENP6PARP2
SCHEMBL14984451 0.87 EPHX2 (0.54) PARP10CA1CA2EPHX2FAAH
SCHEMBL601086 0.87 EPHX2 (0.57) PARP10SENP8SENP6CA1CA2
SCHEMBL433358 0.87 EPHX2 (0.57) PARP10SENP8SENP6CA1CA2
SCHEMBL14984454 0.87 SMN1; SMN2 (0.49) PARP10EPHX2FAAHMAPTALDH1A1
SCHEMBL602162 0.87 EPHX2 (0.57) PARP10SENP8SENP6CA1CA2
SCHEMBL601885 0.85 PARP10 (0.45) PARP10EPHX2FAAHALDH1A1POLB
SCHEMBL601886 0.85 PARP10 (0.45) PARP10EPHX2FAAHALDH1A1POLB
SCHEMBL2471996 0.82 EPHX2 (0.56) EPHX2FAAH
SCHEMBL31382415 0.82 ALDH1A1 (0.50) PARP10EPHX2MAPTALDH1A1POLB

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 PARP10 2063/4885MAP4K4 4035/4885SENP8 4854/4885

“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.