SCHEMBL4910116

SCHEMBL4910116

CC(C)(C)OC(=O)N[C@@H](CCNCC1CCCCC1)C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.49
ITGA2B P08514 11/20 0.49
CTSK P43235 3/20 0.47
CTSS P25774 1/20 0.47
TSHR P16473 1/20 0.46
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CALCRL Q16602 1/20 0.40

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
SCHEMBL4916101 0.80 ITGB3 (0.50) ITGB3ITGA2BCTSKCTSSTSHR
SCHEMBL4916104 0.80 ITGB3 (0.50) ITGB3ITGA2BCTSKCTSSTSHR
SCHEMBL27469415 0.79 CTSK (0.52) ITGB3ITGA2BCTSKCTSSTSHR
SCHEMBL4767454 0.78 ITGB3 (0.47) ITGB3ITGA2BCTSKCTSSTSHR
SCHEMBL4767490 0.78 ITGB3 (0.47) ITGB3ITGA2BCTSKCTSSTSHR
SCHEMBL4933439 0.78 CTSK (0.52) ITGB3ITGA2BCTSKCTSSTSHR
SCHEMBL18016112 0.77 ITGB3 (0.48) ITGB3ITGA2BCTSKTSHRCTSL
SCHEMBL4906085 0.77 CTSK (0.46) ITGB3ITGA2BCTSKCTSSTSHR
SCHEMBL4906089 0.77 CTSK (0.46) ITGB3ITGA2BCTSKCTSSTSHR
SCHEMBL9103036 0.76 CTSK (0.52) ITGB3ITGA2BCTSKCTSSTSHR

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 ITGB3 4014/4885ITGA2B 3782/4885CTSK 490/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 ITGB3 4250/4885ITGA2B 4214/4885CTSK 336/4885

“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.