SCHEMBL13622658

SCHEMBL13622658

CC(C)(C)OC(=O)N[C@@H](CN1C(=O)c2ccncc2C1=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HPGD P15428 1/20 0.36
TRPA1 O75762 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL8282944 1.00 NPSR1 (0.44) NPSR1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL8178666 0.86 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1
SCHEMBL8282957 0.86 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1
SCHEMBL13622642 0.86 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1
SCHEMBL12600996 0.80 KDM4E (0.47) NPSR1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL21389102 0.78 NPSR1 (0.53) NPSR1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL8282942 0.77 KDM4E (0.33) KDM4EMAPTHSD17B10TSHRKMT2A
SCHEMBL12601402 0.76 NPSR1 (0.43) NPSR1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL27910719 0.75 SCN9A (0.42) CYP3A4KMT2AGAAALDH1A1TP53
SCHEMBL12679223 0.74 CTSS (0.43) KMT2AALDH1A1MAPK1

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 3 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-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US 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 NPSR1 2333/4885KDM4E 104/4885MAPT 4375/4885

“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.