SCHEMBL4906108

SCHEMBL4906108

CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC1)C(=O)OC(C)(C)C(Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.42
ITGB3 P05106 11/20 0.38
ITGA2B P08514 11/20 0.38
CTSK P43235 2/20 0.37
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TGM2 P21980 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
TSHR P16473 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
SCHEMBL4914151 0.80 CTSK (0.45) CTSKHDAC1TSHR
SCHEMBL10074274 0.79 ITGB3 (0.56) PREPITGB3ITGA2BTGM2DPP7
SCHEMBL4913893 0.79 CTSK (0.44) ITGB3ITGA2BCTSKHDAC1
SCHEMBL4906556 0.79 ITGB3 (0.56) PREPITGB3ITGA2BTGM2DPP7
SCHEMBL4913612 0.78 PREP (0.50) PREPITGB3ITGA2BHDAC1HDAC8
SCHEMBL4913602 0.78 DPP7 (0.54) PREPITGB3ITGA2BDPP7DPP4
SCHEMBL6890952 0.77 PREP (0.48) PREPITGB3ITGA2BCTSKHDAC1
SCHEMBL6100302 0.75 PREP (0.53) PREPITGB3ITGA2BDPP7DPP4
SCHEMBL5351068 0.74 PREP (0.57) PREPITGB3ITGA2BCTSKHDAC8
SCHEMBL27586353 0.74 PREP (0.57) PREPITGB3ITGA2BCTSKHDAC8

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 PREP 7/4885ITGB3 4014/4885ITGA2B 3782/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 PREP 1/4885ITGB3 4250/4885ITGA2B 4214/4885

“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.