SCHEMBL5350152

SCHEMBL5350152

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)c1cnc2ccccc2n1)C(=O)N1CCSC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.47
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL6809984 0.86 ITGB3 (0.47) TGM2ITGB3ITGA2BHDAC4HDAC1
SCHEMBL6809258 0.85 TGM2 (0.46) TGM2ITGB3ITGA2BHDAC4HDAC1
SCHEMBL5355999 0.82 DPP4 (0.58) DPP4DPP8DPP9DPP7HDAC1
SCHEMBL12291405 0.82 TGM2 (0.45) TGM2DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5346118 0.81 DPP4 (0.57) DPP4DPP8DPP9DPP7HDAC1
SCHEMBL5871953 0.79 TGM2 (0.44) TGM2DPP4DPP8DPP9DPP7
SCHEMBL10054478 0.78 TGM2 (0.46) TGM2DPP4DPP8DPP9DPP7
SCHEMBL10078265 0.78 TGM2 (0.46) TGM2DPP4DPP8DPP9DPP7
SCHEMBL2859559 0.77 DPP4 (0.66) TGM2DPP4DPP8DPP9DPP7
SCHEMBL2859552 0.77 DPP4 (0.66) TGM2DPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7125863-B2 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2006-10-24 US disclosed
EP-1693365-A1 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2006-08-23 EP disclosed
EP-1280797-B1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING BV (NL) 2004-10-13 EP disclosed
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2004-04-29 US disclosed
US-20030216450-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2003-11-20 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-20030216450-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP8 TGM2 648/4885DPP4 1/4885DPP8 3/4885
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP3 TGM2 1289/4885DPP4 1/4885DPP8 6/4885

“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.