SCHEMBL8283569

SCHEMBL8283569

CC(C)CN1C(=O)c2ccsc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.44
RAB9A P51151 8/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 6/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CES1 P23141 1/20 0.39
GAA P10253 2/20 0.39
PTPRC P08575 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EP300 Q09472 1/20 0.35
TNFRSF1A P19438 1/20 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
SCHEMBL12601431 0.82 CYP1B1 (0.47) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL19011346 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL13859027 0.75 MEN1 (0.41) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL30377710 0.74 ALDH1A1 (0.53) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL4482770 0.74 ALDH1A1 (0.53) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL14560516 0.73 ALDH1A1 (0.45) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL16624015 0.73 CES1 (0.43) ALDH1A1KMT2ANPC1LMNACES1
SCHEMBL17032033 0.72 ALDH1A1 (0.40) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL19333903 0.72 CA12 (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL20434474 0.72 CDC25A (0.47) ALDH1A1HPGDCES1

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-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-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-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

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 ALDH1A1 2164/4885RAB9A 4232/4885MEN1 4705/4885

“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.