SCHEMBL10045811

SCHEMBL10045811

COC(=O)C(CO)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.55
▸ KLK5 Q9Y337 2/20 0.55
▸ SIRT2 Q8IXJ6 7/20 0.55
▸ SIRT1 Q96EB6 6/20 0.55
▸ SIRT3 Q9NTG7 4/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SIRT5 Q9NXA8 2/20 0.52

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
SCHEMBL7323841 0.91 KLK7 (0.63) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL13430768 0.91 SIRT2 (0.64) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL30043940 0.91 SIRT2 (0.64) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL22043592 0.91 SIRT2 (0.56) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL13599684 0.90 MAPT (0.57) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL17039826 0.90 FOLH1 (0.60) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL5309738 0.90 MAPT (0.53) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL8246040 0.90 MAPT (0.53) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL8245686 0.90 MAPT (0.53) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL13154756 0.89 SIRT2 (0.54) KLK7KLK5SIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 — — US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 — — US disclosed
WO-2009018549-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 — — 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 (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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL KLK7 4616/4885KLK5 4764/4885SIRT2 1096/4885

“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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