SCHEMBL12028293

SCHEMBL12028293

CC(=O)C(CNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
CTSS P25774 4/20 0.50
SYK P43405 1/20 0.50
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
IDO1 P14902 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KDM4A O75164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PCSK9 Q8NBP7 1/20 0.40

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
SCHEMBL118384 0.90 CTSK (0.51) CTSKCTSSSYKMAPTATM
SCHEMBL266021 0.90 CTSK (0.51) CTSKCTSSSYKMAPTATM
SCHEMBL266022 0.90 CTSK (0.51) CTSKCTSSSYKMAPTATM
SCHEMBL27406072 0.87 SYK (0.52) CTSKCTSSSYKMAPTATM
SCHEMBL7757520 0.87 CTSK (0.49) CTSKCTSSSYKMAPTATM
SCHEMBL27406074 0.87 SYK (0.52) CTSKCTSSSYKMAPTATM
SCHEMBL5669913 0.87 CTSK (0.49) CTSKCTSSSYKMAPTATM
SCHEMBL6531538 0.87 SYK (0.52) CTSKCTSSSYKMAPTATM
SCHEMBL7760725 0.87 CTSK (0.49) CTSKCTSSSYKMAPTATM
SCHEMBL8222967 0.85 CTSK (0.50) CTSKCTSSSYKATMMALT1

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-8507477-B2 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2013-08-13 US disclosed
US-20110306604-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-12-15 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-20110306604-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS CALCRL, CCKBR, CCKAR CTSK 970/4885CTSS 991/4885SYK 3780/4885

“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.