SCHEMBL4911293

SCHEMBL4911293

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.52
TLR1 Q15399 1/20 0.52
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
TGM2 P21980 2/20 0.47
KMT2A Q03164 1/20 0.47
MDM2 Q00987 1/20 0.43
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CXCR3 P49682 1/20 0.39

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
SCHEMBL13702142 0.86 TLR2 (0.53) TLR2TLR1ITGB3ITGA2BTGM2
SCHEMBL2854140 0.84 TLR2 (0.53) TLR2TLR1ITGB3ITGA2BTGM2
SCHEMBL2854141 0.84 TLR2 (0.53) TLR2TLR1ITGB3ITGA2BTGM2
SCHEMBL29401034 0.83 TLR2 (0.56) TLR2TLR1ITGB3ITGA2BKMT2A
SCHEMBL2267346 0.82 KMT2A (0.58) TLR2TLR1KMT2AMDM2KLK7
SCHEMBL30885878 0.82 KMT2A (0.58) TLR2TLR1KMT2AMDM2KLK7
SCHEMBL29401707 0.82 KMT2A (0.58) TLR2TLR1KMT2AMDM2KLK7
SCHEMBL29362262 0.82 KMT2A (0.58) TLR2TLR1KMT2AMDM2KLK7
SCHEMBL12040103 0.82 KMT2A (0.58) TLR2TLR1KMT2AMDM2KLK7
SCHEMBL999302 0.82 KMT2A (0.58) TLR2TLR1KMT2AMDM2KLK7

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 4 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
US-20040235752-A1 3-fluoro-pyrrolidines as antidiabetic agents FERRING B.V. (NL) 2004-11-25 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-20040235752-A1 3-fluoro-pyrrolidines as antidiabetic agents DPP4, DPP7, DPP3 TLR2 4018/4885TLR1 3996/4885ITGB3 3366/4885
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.