SCHEMBL8282904

SCHEMBL8282904

CC(C)CN1C(=O)C(C)(C)CC(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.40
CYP19A1 P11511 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
CNR1 P21554 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
CASP6 P55212 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8282199 0.79 PIK3CD (0.38) PIK3CDCYP19A1KMT2AMEN1TSHR
SCHEMBL8282196 0.76 MEN1 (0.41) PIK3CDCYP19A1KMT2AMEN1TSHR
SCHEMBL8282907 0.75 PIK3CD (0.39) PIK3CDCYP19A1KMT2AMEN1TSHR
SCHEMBL8282905 0.75 PIK3CD (0.42) PIK3CDCYP19A1KMT2AMEN1TSHR
SCHEMBL12600706 0.75 F2 (0.43) CYP19A1KMT2AMEN1TSHRALDH1A1
SCHEMBL8282906 0.72 PIK3CD (0.51) PIK3CD
SCHEMBL8282895 0.70 CNR1 (0.37) PIK3CDCYP19A1TSHRCNR1ALDH1A1
SCHEMBL8282193 0.70 HTR1A (0.40) PIK3CDKMT2AMEN1TSHRALDH1A1
SCHEMBL14085834 0.70 PIK3CD (0.53) PIK3CDKMT2AMEN1TSHRGAA
SCHEMBL8282174 0.68 MMP2 (0.45) PIK3CD

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
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP 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-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB PIK3CD 850/4885CYP19A1 409/4885KMT2A 1104/4885

“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.