SCHEMBL5992790

SCHEMBL5992790

CNC(=O)C1CCCN1C(=O)C(NS(C)(=O)=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.44
DPP4 P27487 3/20 0.44
TAAR1 Q96RJ0 1/20 0.42
ELANE P08246 6/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
XIAP P98170 2/20 0.39
MLX Q9UH92 1/20 0.39
ACE P12821 4/20 0.38
REN P00797 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.38
PEPD P12955 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 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
SCHEMBL13014738 0.90 CMA1 (0.48) CMA1DPP4TAAR1ELANEDPP8
SCHEMBL10282003 0.81 DPP4 (0.45) CMA1DPP4TAAR1DPP8DPP9
SCHEMBL13125662 0.80 DPP4 (0.44) CMA1DPP4TAAR1DPP8DPP9
SCHEMBL5992849 0.79 ELANE (0.52) DPP4ELANEDPP8DPP9XIAP
SCHEMBL3265287 0.79 ELANE (0.52) DPP4ELANEDPP8DPP9XIAP
SCHEMBL13014806 0.78 DPP4 (0.43) CMA1DPP4TAAR1DPP8DPP9
SCHEMBL13380009 0.78 XIAP (0.47) DPP4TAAR1ELANEDPP8DPP9
SCHEMBL24441097 0.76 DPP4 (0.56) DPP4DPP8DPP9XIAPACE
SCHEMBL5994759 0.76 DPP4 (0.56) DPP4DPP8DPP9XIAPACE
SCHEMBL13393685 0.76 XIAP (0.52) DPP4TAAR1ELANEDPP8DPP9

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 8 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-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
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 CMA1 1928/4885DPP4 159/4885TAAR1 4696/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CMA1 1928/4885DPP4 159/4885TAAR1 4696/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CMA1 1928/4885DPP4 159/4885TAAR1 4696/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CMA1 1928/4885DPP4 159/4885TAAR1 4696/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CMA1 1928/4885DPP4 159/4885TAAR1 4696/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CMA1 1928/4885DPP4 159/4885TAAR1 4696/4885

“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.