SCHEMBL25540903

SCHEMBL25540903

COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.67
KLK5 Q9Y337 2/20 0.67
MAPT P10636 1/20 0.67
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.62
SIRT1 Q96EB6 1/20 0.62
SIRT3 Q9NTG7 1/20 0.62
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
FOLH1 Q04609 2/20 0.58

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
SCHEMBL2329138 1.00 KLK7 (0.67) KLK7KLK5MAPTCA1CA2
SCHEMBL2329143 1.00 KLK7 (0.67) KLK7KLK5MAPTCA1CA2
SCHEMBL14014416 0.97 KLK7 (0.63) KLK7KLK5MAPTCA1CA2
SCHEMBL13120843 0.97 KLK7 (0.63) KLK7KLK5MAPTCA1CA2
SCHEMBL7323841 0.96 KLK7 (0.63) KLK7KLK5MAPTCA1CA2
SCHEMBL13430768 0.96 SIRT2 (0.64) KLK7KLK5MAPTCA1CA2
SCHEMBL30043940 0.96 SIRT2 (0.64) KLK7KLK5MAPTCA1CA2
SCHEMBL1303931 0.94 MAPT (0.68) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL17309872 0.94 MAPT (0.68) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL10873871 0.94 KLK7 (0.67) KLK7KLK5MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-06-01 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-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 KLK7 194/4885KLK5 77/4885MAPT 2411/4885

“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.