SCHEMBL4904566

SCHEMBL4904566

C[C@@H](NC(=O)C(O)[C@H](CCCCNC(=O)N1CCOCC1)N(CC1(Cc2ccccc2)CCCCC1)C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.54
CTSK P43235 5/20 0.54
CTSL P07711 3/20 0.54
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MAPK1 P28482 1/20 0.37
CTSB P07858 1/20 0.36
NAMPT P43490 1/20 0.36
TACR2 P21452 3/20 0.36
MEN1 O00255 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 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
SCHEMBL4907897 0.93 CTSK (0.63) CTSSCTSKCTSLMMP1MMP3
SCHEMBL4901897 0.93 CTSK (0.63) CTSSCTSKCTSLMMP1MMP3
SCHEMBL4908363 0.91 CTSK (0.55) CTSSCTSKCTSLMMP1MMP3
SCHEMBL4904621 0.86 CTSK (0.61) CTSSCTSKCTSLMMP1MMP3
SCHEMBL4904614 0.86 CTSK (0.61) CTSSCTSKCTSLMMP1MMP3
SCHEMBL14260210 0.83 CTSK (0.67) CTSSCTSKCTSLMMP1MMP3
SCHEMBL4907786 0.83 CTSK (0.53) CTSSCTSKCTSLMMP3CTSB
SCHEMBL4896822 0.81 CTSK (0.53) CTSSCTSKCTSLCTSBMEN1
SCHEMBL4908385 0.80 CTSK (0.66) CTSSCTSKCTSLCTSBMEN1
SCHEMBL4900895 0.80 CTSK (0.66) CTSSCTSKCTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 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 (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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE CTSS 2/4885CTSK 1/4885CTSL 12/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSS 2/4885CTSK 1/4885CTSL 12/4885

“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.