SCHEMBL4171002

SCHEMBL4171002

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.49
CTSB P07858 7/20 0.49
CTSS P25774 5/20 0.49
CTSK P43235 5/20 0.49
CCR1 P32246 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL5487435 0.91 CTSL (0.40) CTSLCTSBCTSSCTSKCCR1
SCHEMBL4188373 0.90 CTSS (0.39) CTSLCTSBCTSSCTSK
SCHEMBL4186154 0.89 CTSS (0.42) CTSLCTSBCTSSCTSK
SCHEMBL4183292 0.89 USP30 (0.39) CTSLCTSBCTSSCTSKUSP30
SCHEMBL4177802 0.88 CTSS (0.44) CTSLCTSBCTSSCTSK
SCHEMBL4188282 0.88 CTSS (0.54) CTSLCTSBCTSSCTSKUSP30
SCHEMBL4188234 0.87 CTSL (0.44) CTSLCTSBCTSSCTSKCCR1
SCHEMBL4188233 0.87 CTSL (0.44) CTSLCTSBCTSSCTSKCCR1
SCHEMBL4175983 0.86 KDM4E (0.43)
SCHEMBL4183416 0.86 CTSK (0.48) CTSBCTSSCTSK

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 CTSL 867/4885CTSB 2311/4885CTSS 1717/4885

“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.