SCHEMBL4896984

SCHEMBL4896984

CCCCC(CC1(CSc2ncc(-c3ccc(Cl)cc3)n2C)CCC1)(NC(=O)O)C(=O)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.64
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL4898956 0.86 CTSK (0.60) CTSKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL4899340 0.83 CTSK (0.62) CTSKTP53RAB9ASMN1; SMN2CTSL
SCHEMBL4905735 0.83 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL4903829 0.83 CTSK (0.64) CTSK
SCHEMBL4899135 0.81 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL4896976 0.79 CTSK (0.72) CTSKCTSLCTSSCTSB
SCHEMBL14260312 0.78 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL4904799 0.77 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL4901984 0.77 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL4901641 0.77 CTSK (0.62) CTSKCTSLCTSSCTSB

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 CTSK 1/4885ATP1A1 2860/4885ATP1B1 2976/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885ATP1A1 2860/4885ATP1B1 2976/4885

“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.