SCHEMBL4180904

SCHEMBL4180904

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
UTS2R Q9UKP6 1/20 0.38
TACR2 P21452 3/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TRPV4 Q9HBA0 2/20 0.36
RAB9A P51151 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
SCHEMBL4188460 0.96 CTSK (0.44) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4183416 0.92 CTSK (0.48) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4178394 0.92 CTSK (0.48) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4185942 0.92 CTSK (0.48) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4188439 0.92 CTSK (0.48) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4171105 0.92 CTSB (0.44) CTSKCTSBCTSSTACR2
SCHEMBL4191791 0.90 CTSB (0.42) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4178278 0.89 CTSB (0.40) CTSKCTSBCTSSUTS2RTACR2
SCHEMBL4192520 0.88 CTSB (0.40) CTSKCTSBCTSSTACR2CTDSP1
SCHEMBL4194752 0.88 CTSK (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 4 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

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.