SCHEMBL4897221

SCHEMBL4897221

CCCCC(NC(=O)O)(C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1(Cc2ccccc2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 4/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
DPP4 P27487 1/20 0.31

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
SCHEMBL4908346 0.98 CTSK (0.33) NPSR1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL4908435 0.97 CTSB (0.34) NPSR1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL4905680 0.78 CTSL (0.33) NPSR1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL4895973 0.76 CTSK (0.50) CTSKCTSLCTSB
SCHEMBL4907443 0.75 MAPT (0.33) SMN1; SMN2CTSKCTSLCTSB
SCHEMBL6405800 0.74 ATM (0.35) NPSR1
SCHEMBL4902231 0.74 CTSK (0.50) CTSKCTSLCTSB
SCHEMBL4899316 0.73 CTSK (0.51) CTSKCTSLCTSB
SCHEMBL6650575 0.67 CTSK (0.64) CTSKCTSLCTSB
SCHEMBL6650579 0.67 CTSK (0.64) CTSKCTSLCTSB

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 NPSR1 2481/4885SMN1; SMN2 4698/4885CTSK 1/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE NPSR1 2481/4885SMN1; SMN2 4698/4885CTSK 1/4885

“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.