SCHEMBL4911413

SCHEMBL4911413

CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)N1CCC(F)(F)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.50
ITGA2B P08514 10/20 0.50
TSHR P16473 1/20 0.41
CTSK P43235 2/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC4 P56524 1/20 0.39
TGM2 P21980 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
CTSL P07711 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL4906241 0.97 ITGB3 (0.54) ITGB3ITGA2BTSHRCTSKHDAC1
SCHEMBL6389169 0.97 ITGB3 (0.54) ITGB3ITGA2BTSHRCTSKHDAC1
SCHEMBL6390296 0.87 ITGB3 (0.55) ITGB3ITGA2BTSHRCTSKHDAC1
SCHEMBL6392307 0.87 ITGB3 (0.55) ITGB3ITGA2BTSHRCTSKHDAC1
SCHEMBL6809194 0.87 TSHR (0.41) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL6809191 0.85 ITGB3 (0.46) ITGB3ITGA2BTSHRHDAC1HDAC8
SCHEMBL6809187 0.85 ITGB3 (0.46) ITGB3ITGA2BTSHRHDAC1HDAC8
SCHEMBL24485007 0.85 HRH2 (0.43) ITGB3ITGA2BTSHRCTSKHDAC8
SCHEMBL6386162 0.83 ITGB3 (0.55) ITGB3ITGA2BTSHRCTSKHDAC1
SCHEMBL6386168 0.83 ITGB3 (0.55) ITGB3ITGA2BTSHRCTSKHDAC1

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 3782/4885TSHR 1641/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 ITGB3 4250/4885ITGA2B 4214/4885TSHR 2555/4885

“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.