SCHEMBL3745041

SCHEMBL3745041

CC(C)(C)OC(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.35
▸ SCN9A Q15858 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ CTSS P25774 2/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSK P43235 1/20 0.32

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
SCHEMBL31482347 1.00 KLK7 (0.35) KLK7SCN9ACYP3A4TLR2TLR1
SCHEMBL3745036 1.00 KLK7 (0.35) KLK7SCN9ACYP3A4TLR2TLR1
SCHEMBL25717615 0.94 KLK7 (0.35) KLK7SCN9ACYP3A4TLR2TLR1
SCHEMBL18207164 0.89 KDM4E (0.35) MEN1ALDH1A1KMT2AMAPK1
SCHEMBL18207163 0.89 KDM4E (0.35) MEN1ALDH1A1KMT2AMAPK1
SCHEMBL18218809 0.89 CPB2 (0.33) CPB2
SCHEMBL3439706 0.85 KLK5 (0.41) CPB2TACR1CTSSCTSLCTSB
SCHEMBL9838791 0.85 KLK5 (0.41) CPB2TACR1CTSSCTSLCTSB
SCHEMBL31001585 0.85 CPB2 (0.31) CPB2
SCHEMBL13650201 0.82 ITGB3 (0.45) MAPK1CPB2

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-8362015-B2 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-29 — — US disclosed
US-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-18 — — 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-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders AADAC, AADAT, DNPEP KLK7 4392/4885SCN9A 3029/4885CYP3A4 175/4885

“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.

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