SCHEMBL4186154

SCHEMBL4186154

CC(C)C[C@H](NC(=O)c1ccco1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.42
CTSL P07711 5/20 0.42
CTSK P43235 3/20 0.42
UTS2R Q9UKP6 1/20 0.38
CTSB P07858 2/20 0.37
ATM Q13315 1/20 0.36
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PADI1 Q9ULC6 1/20 0.35
PADI4 Q9UM07 1/20 0.35

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
SCHEMBL4181987 0.90 CTSL (0.43) CTSSCTSLCTSKATMALDH1A1
SCHEMBL4171002 0.89 CTSL (0.49) CTSSCTSLCTSKCTSB
SCHEMBL4181130 0.88 CTSS (0.48) CTSSCTSLCTSKCTSBATM
SCHEMBL4177802 0.85 CTSS (0.44) CTSSCTSLCTSKCTSB
SCHEMBL4178078 0.84 CTSL (0.41) CTSSCTSLCTSKUTS2RALDH1A1
SCHEMBL4188439 0.84 CTSK (0.48) CTSSCTSKUTS2RCTSB
SCHEMBL4183416 0.84 CTSK (0.48) CTSSCTSKUTS2RCTSB
SCHEMBL4187902 0.84 CTSL (0.46) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL4185942 0.84 CTSK (0.48) CTSSCTSKUTS2RCTSB
SCHEMBL4178394 0.84 CTSK (0.48) CTSSCTSKUTS2RCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 CTSS 1717/4885CTSL 867/4885CTSK 1738/4885

“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.