SCHEMBL717638

SCHEMBL717638

CC(C)CN1C(=O)CCCC1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.57
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PDE4B Q07343 1/20 0.37
TSHR P16473 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CASP6 P55212 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 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
SCHEMBL1682032 0.90 PIK3CD (0.50) PIK3CDMEN1KMT2APOLBGAA
SCHEMBL12148577 0.80 GAA (0.50) PIK3CDMEN1KMT2APOLBGAA
SCHEMBL13622584 0.79 PIK3CD (0.41) PIK3CDPOLBGAAALDH1A1TSHR
SCHEMBL10972607 0.79 PIK3CD (0.41) PIK3CDMEN1KMT2APOLBTSHR
SCHEMBL14606115 0.79 PIK3CD (0.41) PIK3CDMEN1KMT2APOLBGAA
SCHEMBL14268183 0.77 PIK3CD (0.44) PIK3CDMEN1KMT2APOLBGAA
SCHEMBL8295107 0.74 PIK3CD (0.47) PIK3CDMEN1KMT2APOLBGAA
SCHEMBL13791862 0.73 PIK3CD (0.37) PIK3CDMEN1KMT2APOLBTSHR
SCHEMBL1303006 0.73 PIK3CD (1.00) PIK3CDMEN1KMT2AALDH1A1TSHR
SCHEMBL15894720 0.73 PIK3CD (0.44) PIK3CDGAAALDH1A1CASP6LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247725-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-31 US disclosed
US-9493799-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-11-15 US disclosed
US-20160032330-A1 P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-02-04 US disclosed
US-20160002682-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES UNITED STATES DEPARTMENT OF ENERGY 2016-01-07 US disclosed
US-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-8993262-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-31 US disclosed
US-20140242647-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-08-28 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 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-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-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-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 850/4885MEN1 4705/4885KMT2A 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.