SCHEMBL4906558

SCHEMBL4906558

CC(C)(C)OC(=O)N[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(F)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
MDM2 Q00987 1/20 0.43
KMT2A Q03164 2/20 0.42
BACE1 P56817 1/20 0.41
MAPK1 P28482 1/20 0.41
PABPC1 P11940 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
SCHEMBL4912763 0.89 ITGB3 (0.50) TLR2TLR1ITGB3ITGA2BMDM2
SCHEMBL4915026 0.87 TLR2 (0.47) TLR2TLR1ITGB3ITGA2BMDM2
SCHEMBL2853534 0.84 MDM2 (0.45) TLR2TLR1ITGB3ITGA2BMDM2
SCHEMBL2853531 0.84 MDM2 (0.45) TLR2TLR1ITGB3ITGA2BMDM2
SCHEMBL956359 0.83 BACE1 (0.47) TLR2TLR1MDM2BACE1
SCHEMBL956361 0.83 BACE1 (0.47) TLR2TLR1MDM2BACE1
SCHEMBL31180735 0.83 MDM2 (0.55) TLR2TLR1MDM2KMT2A
SCHEMBL29594390 0.83 MDM2 (0.55) TLR2TLR1MDM2KMT2A
SCHEMBL1300076 0.83 MDM2 (0.55) TLR2TLR1MDM2KMT2A
SCHEMBL1000910 0.83 MDM2 (0.55) TLR2TLR1MDM2KMT2A

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 5 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
EP-1446116-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2004-08-18 EP disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 WO 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 TLR2 4070/4885TLR1 4461/4885ITGB3 4014/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 TLR2 4532/4885TLR1 4699/4885ITGB3 4250/4885

“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.