SCHEMBL5002679

SCHEMBL5002679

CON(C)C(=O)CNC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DPP4 P27487 8/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAP Q12884 5/20 0.36
DPP7 Q9UHL4 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL4999188 0.98 KDM4E (0.43) KDM4EPOLBEPHX2NPSR1DPP4
SCHEMBL4999703 0.96 KDM4E (0.38) KDM4EPOLBEPHX2NPSR1DPP4
SCHEMBL756137 0.83 EPHX2 (0.40) KDM4EEPHX2NPSR1ALDH1A1SMN1; SMN2
SCHEMBL754816 0.81 EPHX2 (0.42) KDM4EPOLBEPHX2NPSR1ALDH1A1
SCHEMBL8266907 0.81 KDM4E (0.42) KDM4EPOLBDPP4ALDH1A1FAP
SCHEMBL8266594 0.79 KDM4E (0.44) KDM4EPOLBDPP4ALDH1A1FAP
SCHEMBL8266999 0.77 DPP4 (0.40) KDM4EPOLBDPP4FAPDPP7
SCHEMBL8294299 0.75 ALDH1A1 (0.50) KDM4EPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL751989 0.75 EPHX2 (0.32) KDM4EEPHX2ALDH1A1
SCHEMBL1977433 0.75 EPHX2 (0.59) KDM4EPOLBEPHX2NPSR1DPP4

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
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
EP-1730165-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2006-12-13 EP disclosed
US-20050267043-A1 Novel inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION 2005-12-01 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 (2 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-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 KDM4E 966/4885POLB 3834/4885EPHX2 2137/4885
US-20050267043-A1 Novel inhibitors of hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 KDM4E 966/4885POLB 3834/4885EPHX2 2137/4885

“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.