SCHEMBL2896794

SCHEMBL2896794

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.53
ITGA2B P08514 11/20 0.53
TSHR P16473 1/20 0.45
CTSK P43235 4/20 0.45
CTSS P25774 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
CALCRL Q16602 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
SCHEMBL25183128 1.00 ITGB3 (0.53) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL25186364 0.99 ITGB3 (0.54) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL8717338 0.99 ITGB3 (0.54) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL25177957 0.88 CTSK (0.48) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL7298353 0.87 CYP2D6 (0.46) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL25186006 0.87 ITGB3 (0.49) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL25185744 0.87 ITGB3 (0.45) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL25186542 0.85 ITGB3 (0.48) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL23845159 0.85 HRH2 (0.48) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL1707105 0.85 CTSK (0.54) ITGB3ITGA2BTSHRCTSKCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687492-B2 1,2,4-Oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-30 US disclosed
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-24 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 (1 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-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 ITGB3 2369/4885ITGA2B 3916/4885TSHR 4272/4885

“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.