SCHEMBL4185754

SCHEMBL4185754

CCCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
RAB9A P51151 1/20 0.42
TACR2 P21452 7/20 0.40
MCHR1 Q99705 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL4194752 0.95 CTSK (0.51) CTSKCTSBCTSSBCHEACHE
SCHEMBL4175710 0.94 CTSK (0.44) CTSKCTSBCTSSBCHEACHE
SCHEMBL4185654 0.90 UTS2R (0.52) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4180981 0.90 UTS2R (0.52) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4181100 0.90 UTS2R (0.52) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4182999 0.90 UTS2R (0.52) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4188460 0.88 CTSK (0.44) CTSKCTSBCTSSBCHEACHE
SCHEMBL4192169 0.88 TRPV4 (0.51) CTSKCTSBCTSSBCHEACHE
SCHEMBL4179196 0.87 TACR2 (0.44) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4183247 0.87 GAA (0.41) CTSKCTSBCTSSUTS2RRAB9A

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 7 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
US-20070065483-A1 In vivo formed matrices including natural biodegradable polysaccharides and uses thereof SURMODICS MD, LLC 2007-03-22 US 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 (2 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
US-20070065483-A1 In vivo formed matrices including natural biodegradable polysaccharides and uses thereof CD44, ADAMTS4, BMP2 CTSK 288/4885CTSB 292/4885CTSS 377/4885

“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.