SCHEMBL5353196

SCHEMBL5353196

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CSC[C@H]1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.49
TLR1 Q15399 1/20 0.49
MDM2 Q00987 2/20 0.44
KMT2A Q03164 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
DPP4 P27487 1/20 0.40
PRCP P42785 1/20 0.38
PIN1 Q13526 1/20 0.38
CCKAR P32238 1/20 0.38

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
SCHEMBL5348559 0.87 DPP4 (0.53) TLR2TLR1MDM2KMT2AITGB3
SCHEMBL13260142 0.85 TLR2 (0.46) TLR2TLR1MDM2KMT2AITGB3
SCHEMBL3723779 0.85 TLR2 (0.46) TLR2TLR1MDM2KMT2AITGB3
SCHEMBL2854141 0.83 TLR2 (0.53) TLR2TLR1MDM2KMT2AITGB3
SCHEMBL2854140 0.83 TLR2 (0.53) TLR2TLR1MDM2KMT2AITGB3
SCHEMBL2267346 0.82 KMT2A (0.58) TLR2TLR1MDM2KMT2AKLK7
SCHEMBL29362262 0.82 KMT2A (0.58) TLR2TLR1MDM2KMT2AKLK7
SCHEMBL12040103 0.82 KMT2A (0.58) TLR2TLR1MDM2KMT2AKLK7
SCHEMBL30885878 0.82 KMT2A (0.58) TLR2TLR1MDM2KMT2AKLK7
SCHEMBL29401707 0.82 KMT2A (0.58) TLR2TLR1MDM2KMT2AKLK7

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 8 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-7144886-B2 Dipeptidyl peptidase IV (DP-IV) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2006-12-05 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
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2005-01-06 US 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 (3 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 TLR2 3976/4885TLR1 3500/4885MDM2 4279/4885
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP3 TLR2 4376/4885TLR1 2301/4885MDM2 1982/4885
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents DPP4, DPP8, DPP3 TLR2 3203/4885TLR1 3914/4885MDM2 1721/4885

“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.