SCHEMBL6206079

SCHEMBL6206079

NC1CCCN(S(=O)(=O)c2ccccn2)CC1=NNC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.42
CTSL P07711 7/20 0.42
CTSS P25774 7/20 0.42
CTSB P07858 5/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.41
CTSV O60911 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 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
SCHEMBL6206077 1.00 CTSK (0.42) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL6807048 0.80 CTSK (0.42) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL6807050 0.80 CTSK (0.42) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4768241 0.78 CTSK (0.45) CTSKCTSLCTSSCTSBPKM
SCHEMBL6629371 0.72 CTSK (0.47) CTSKCTSLCTSSCTSBPKM
SCHEMBL14040701 0.71 PKM (0.46) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL6807052 0.71 MMP13 (0.35) CTSKALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5105578 0.70 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL3921892 0.70 KDM4E (0.58) ALDH1A1SMN1; SMN2KDM4ELMNAPKM
SCHEMBL14145059 0.70 ALDH1A1 (0.41) CTSKCTSLCTSSALDH1A1SMN1; SMN2

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
EP-1401453-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-04-06 EP disclosed
US-20040157828-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-12 US disclosed
EP-1401453-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002092563-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-11-21 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-20040157828-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885

“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.