SCHEMBL4188460

SCHEMBL4188460

CCCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
RAB9A P51151 1/20 0.38
TACR2 P21452 3/20 0.37
MCHR1 Q99705 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4180904 0.96 CTSK (0.48) CTSKCTSBCTSSBCHEACHE
SCHEMBL4188439 0.91 CTSK (0.48) CTSKCTSBCTSSTACR2UTS2R
SCHEMBL4183416 0.91 CTSK (0.48) CTSKCTSBCTSSTACR2UTS2R
SCHEMBL4185942 0.91 CTSK (0.48) CTSKCTSBCTSSTACR2UTS2R
SCHEMBL4178394 0.91 CTSK (0.48) CTSKCTSBCTSSTACR2UTS2R
SCHEMBL4171105 0.91 CTSB (0.44) CTSKCTSBCTSSTACR2
SCHEMBL4191791 0.89 CTSB (0.42) CTSKCTSBCTSSTACR2UTS2R
SCHEMBL4185754 0.88 CTSK (0.46) CTSKCTSBCTSSBCHEACHE
SCHEMBL4178278 0.88 CTSB (0.40) CTSKCTSBCTSSTACR2UTS2R
SCHEMBL4192520 0.87 CTSB (0.40) CTSKCTSBCTSSTACR2CTDSP1

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 CTSK 1738/4885CTSB 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.