SCHEMBL4913893

SCHEMBL4913893

COC(=O)[C@H](CCCCN(C)C(=O)OC(C)(C)C(Cl)(Cl)Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
CTSS P25774 3/20 0.37
F10 P00742 1/20 0.37
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4914151 0.90 CTSK (0.45) CTSKCTSSF10JAK3BTK
SCHEMBL4632325 0.81 CTSK (0.46) CTSKCTSSJAK3BTKITGB3
SCHEMBL4632323 0.81 CTSK (0.46) CTSKCTSSJAK3BTKITGB3
SCHEMBL12287576 0.81 JAK3 (0.43) CTSKCTSSF10JAK3BTK
SCHEMBL18531994 0.79 CTSK (0.50) CTSKCTSSF10JAK3BTK
SCHEMBL4906108 0.79 PREP (0.42) CTSKITGB3ITGA2BHDAC1
SCHEMBL15380848 0.78 CTSK (0.47) CTSKCTSSJAK3BTKITGB3
SCHEMBL14585696 0.78 CTSK (0.47) CTSKCTSSJAK3BTKITGB3
SCHEMBL18820901 0.77 CTSK (0.44) CTSKCTSSF10
SCHEMBL16572348 0.75 CTSK (0.47) CTSKCTSSJAK3BTKITGB3

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-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 2005-02-24 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-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 CTSK 490/4885CTSS 143/4885F10 1026/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 CTSK 336/4885CTSS 95/4885F10 936/4885

“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.