SCHEMBL4194752

SCHEMBL4194752

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
UTS2R Q9UKP6 1/20 0.43
TACR2 P21452 5/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
RAB9A P51151 1/20 0.39
KLKB1 P03952 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
SCHEMBL4185754 0.95 CTSK (0.46) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4185654 0.92 UTS2R (0.52) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4180981 0.92 UTS2R (0.52) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4181100 0.92 UTS2R (0.52) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4182999 0.92 UTS2R (0.52) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4175710 0.90 CTSK (0.44) CTSKCTSBCTSSUTS2RBCHE
SCHEMBL4179196 0.89 TACR2 (0.44) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4183247 0.88 GAA (0.41) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4180904 0.88 CTSK (0.48) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4179292 0.88 TRPV4 (0.51) CTSKCTSBCTSSUTS2RTACR2

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.