SCHEMBL8282987

SCHEMBL8282987

NC(=O)C(O)C(N)C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
METAP2 P50579 14/20 0.42
METAP1 P53582 4/20 0.42
DPP4 P27487 2/20 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
SCHEMBL12402193 0.91 EPHX1 (0.39) EPHX1METAP2METAP1
SCHEMBL5848754 0.77 METAP2 (0.50) EPHX1METAP2METAP1DPP4
SCHEMBL5850001 0.76 METAP2 (0.53) EPHX1METAP2METAP1DPP4
SCHEMBL5849705 0.76 METAP2 (0.53) EPHX1METAP2METAP1DPP4
SCHEMBL8247186 0.75 METAP2 (0.46) EPHX1METAP2METAP1DPP4
SCHEMBL1593125 0.75 METAP2 (0.52) EPHX1METAP2METAP1
SCHEMBL8089041 0.73
SCHEMBL5485166 0.73
SCHEMBL14895039 0.70 EPHX1 (0.54) EPHX1DPP4
SCHEMBL21854171 0.69 METAP2 (0.40) METAP2METAP1DPP4

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
CN-103508918-B With the Alpha-hydroxy beta-amino ester compound and preparation method thereof of cyclobutyl SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-09-09 CN disclosed
CN-103508918-A Cyclobutyl-containing alpha-hydroxy-beta-amino ester compound and preparation method thereof SHANGHAI INST PHARM INDUSTRY 2014-01-15 CN disclosed
US-7759499-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-07-20 US disclosed
EP-1385870-B1 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2010-03-17 EP disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-09-15 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-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC EPHX1 1063/4885METAP2 109/4885METAP1 70/4885

“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.