SCHEMBL4933439

SCHEMBL4933439

CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSS P25774 2/20 0.52
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL1707105 0.98 CTSK (0.54) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL1706617 0.98 CTSK (0.54) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL1706616 0.98 CTSK (0.54) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL27469415 0.87 CTSK (0.52) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL22338678 0.87 CTSK (0.48) CTSKCTSSKMT2ATSHR
SCHEMBL23845159 0.87 HRH2 (0.48) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL9718051 0.87 HRH2 (0.48) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL7352660 0.86 MAPK1 (0.54) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL8717338 0.86 ITGB3 (0.54) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL25186364 0.86 ITGB3 (0.54) CTSKCTSSITGB3ITGA2BCTSL

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 143/4885ITGB3 4014/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 CTSK 336/4885CTSS 95/4885ITGB3 4250/4885

“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.