SCHEMBL3956504

SCHEMBL3956504

CC(C)C[C@H](NC(=O)O)C(=O)NC1CCCNCC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.40
CAPN1 P07384 7/20 0.39
CASP3 P42574 4/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MMP1 P03956 1/20 0.37
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL3956512 1.00 CTSK (0.40) CTSKCAPN1CASP3CASP1CASP7
SCHEMBL4310643 0.84 CTSK (0.47) CTSKCAPN1SMN1; SMN2GAA
SCHEMBL4310652 0.84 CTSK (0.47) CTSKCAPN1SMN1; SMN2GAA
SCHEMBL4310638 0.84 CTSK (0.47) CTSKCAPN1SMN1; SMN2GAA
SCHEMBL13784692 0.84 CTSK (0.47) CTSKCAPN1SMN1; SMN2GAA
SCHEMBL4310648 0.84 CTSK (0.47) CTSKCAPN1SMN1; SMN2GAA
SCHEMBL5099466 0.84 CTSK (0.47) CTSKCAPN1SMN1; SMN2GAA
SCHEMBL4769110 0.81 CPB2 (0.42) CTSK
SCHEMBL4769153 0.81 CAPN1 (0.39) CTSKCAPN1CASP3CASP1CASP7
SCHEMBL6211927 0.81 CTSK (0.39) CTSKCAPN1CASP3CASP1CASP7

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796677-A4 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-07-08 EP disclosed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1384713-B1 4-amino-azepan-3-one derivatives as protease inhibitors SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed
US-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
US-20070259856-A1 Method for Activating Trpv4 Channel Receptors by Agonists SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
EP-1796677-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029209-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
EP-1303281-A4 METHODS OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2006-02-15 EP disclosed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US disclosed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US disclosed
WO-2001034159-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034160-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034565-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034566-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034600-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034158-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034155-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034154-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034157-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 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 (3 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-20070259856-A1 Method for Activating Trpv4 Channel Receptors by Agonists TRPV4, TRPV2, TRPV3 CTSK 410/4885CAPN1 408/4885CASP3 1131/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE CTSK 1/4885CAPN1 86/4885CASP3 461/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF CTSK 6/4885CAPN1 249/4885CASP3 228/4885

“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.