SCHEMBL6320862

SCHEMBL6320862

CC(C)(C)OC(=O)N[C@@](C)(C#N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
CTSS P25774 14/20 0.46
CTSK P43235 10/20 0.46
CTSB P07858 5/20 0.44
CTSL P07711 4/20 0.44
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
AKT1 P31749 2/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL6320857 1.00 KCNA3 (0.46) KCNA3CTSSCTSKCTSBCTSL
SCHEMBL27803999 0.80 HDAC3 (0.42) KCNA3CTSSCTSKCTSLMEN1
SCHEMBL27956303 0.79 KMT2A (0.43) KCNA3CTSSCTSKMEN1NPC1
SCHEMBL27791882 0.78 KMT2A (0.45) KCNA3CTSSCTSKMEN1NPC1
SCHEMBL1951583 0.76 CA12 (0.47) CTSSCTSKCTSBCTSLMEN1
SCHEMBL2953752 0.76 CA12 (0.47) CTSSCTSKCTSBCTSLMEN1
SCHEMBL5409661 0.76 MEN1 (0.43) CTSSCTSKCTSBCTSLMEN1
SCHEMBL1951666 0.76 CA12 (0.47) CTSSCTSKCTSBCTSLMEN1
SCHEMBL7872409 0.75 CYP2C19 (0.42) KCNA3CTSSCTSKMEN1KMT2A
SCHEMBL13567863 0.75 CTSS (0.50) KCNA3CTSSCTSKCTSBCTSL

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-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L KCNA3 2125/4885CTSS 2164/4885CTSK 2200/4885

“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.