SCHEMBL13622813

SCHEMBL13622813

CC(C)(C)OC(=O)N[C@H](CN1Cc2ccccc2C1=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ITGAV P06756 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
PER2 O15055 1/20 0.40
CRY2 Q49AN0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
LIPE Q05469 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8282107 1.00 KDM4E (0.44) KDM4EALOX15TSHRSIRT1ITGAV
SCHEMBL13622796 1.00 KDM4E (0.44) KDM4EALOX15TSHRSIRT1ITGAV
SCHEMBL13632866 0.82 KMT2A (0.43) MEN1KMT2ACTSSCTSKMALT1
SCHEMBL13622704 0.82 KMT2A (0.43) MEN1KMT2ACTSSCTSKMALT1
SCHEMBL24755753 0.81 KDM4E (0.43) KDM4EALOX15TSHRSIRT1ITGAV
SCHEMBL8178666 0.81 ALDH1A1 (0.43) MEN1KMT2ACTSSCTSKMALT1
SCHEMBL8282957 0.81 ALDH1A1 (0.43) MEN1KMT2ACTSSCTSKMALT1
SCHEMBL13622642 0.81 ALDH1A1 (0.43) MEN1KMT2ACTSSCTSKMALT1
SCHEMBL29918332 0.75 ALOX15 (0.52) KDM4EALOX15TSHRSIRT1MEN1
SCHEMBL1430673 0.75 CTSK (0.46) KDM4ESMN1; SMN2CTSSCTSK

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 2 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

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 KDM4E 104/4885ALOX15 2819/4885TSHR 4715/4885

“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.