SCHEMBL5992865

SCHEMBL5992865

CNC(=O)C1CCCN1C(=O)C(NC(C)=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
BIRC2 Q13490 5/20 0.40
XIAP P98170 2/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
BIRC3 Q13489 1/20 0.40
STAT6 P42226 4/20 0.40
CASP1 P29466 1/20 0.40
F2 P00734 2/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL9972545 0.89 ELANE (0.48) ELANEBIRC2XIAPBIRC3CASP1
SCHEMBL13014740 0.89 ELANE (0.50) ELANEDPP4DPP8DPP9BIRC2
SCHEMBL12403760 0.87 ELANE (0.46) ELANEBIRC2XIAPBIRC3CYP3A4
SCHEMBL5995965 0.87 ELANE (0.46) ELANEBIRC2XIAPBIRC3CYP3A4
SCHEMBL3726967 0.85 DPP4 (0.42) ELANEDPP4DPP8DPP9PREP
SCHEMBL806061 0.85 ELANE (0.45) ELANEBIRC2XIAPBIRC3
SCHEMBL15304272 0.85 BIRC2 (0.54) ELANEBIRC2XIAPBIRC3CYP3A4
SCHEMBL14050770 0.85 BIRC2 (0.54) ELANEBIRC2XIAPBIRC3CYP3A4
SCHEMBL12676948 0.83 ELANE (0.43) ELANEBIRC2XIAPBIRC3
SCHEMBL5992754 0.83 ELANE (0.43) ELANEBIRC2XIAPBIRC3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (7 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885DPP4 159/4885DPP8 295/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885DPP4 159/4885DPP8 295/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885DPP4 159/4885DPP8 295/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885DPP4 159/4885DPP8 295/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885DPP4 159/4885DPP8 295/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885DPP4 159/4885DPP8 295/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885DPP4 159/4885DPP8 295/4885

“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.