SCHEMBL3898381

SCHEMBL3898381

CCOC(=O)C1(CC)CC(c2ccc3ccccc3c2)=NO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.47
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
F10 P00742 4/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
F2 P00734 3/20 0.38

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
SCHEMBL28788619 0.86 PYGL (0.48) PYGLOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3902665 0.86 RAB9A (0.44) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL3897723 0.80 LMNA (0.41) F10KDM4EALDH1A1F2PRSS1
SCHEMBL3895694 0.79 JAK2 (0.41) F10SLC6A3KDM4ENPC1RAB9A
SCHEMBL16950388 0.79 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL3897503 0.77 S1PR1 (0.38) F10KDM4ENPC1ALDH1A1RAB9A
SCHEMBL16978313 0.76 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL16900263 0.74 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL16954061 0.74 CA1 (0.52) F10KDM4ENPC1ALDH1A1HTT
SCHEMBL3900312 0.73 ITGB1 (0.36) KDM4ENPC1ALDH1A1RAB9AITGB1

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
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 US disclosed
EP-1660464-A4 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2008-11-26 EP disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 US disclosed
EP-1660464-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG Life Sciences Ltd. (KR) 2006-05-31 EP disclosed
WO-2005021516-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD. (KR) 2005-03-10 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-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 PYGL 1292/4885PDE4A 1991/4885PDE4B 1908/4885

“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.