SCHEMBL13401535

SCHEMBL13401535

CCCCC[C@H](NC(=O)[C@@H](NCCNC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O)C(C)C)C(=O)Nc1ccc(COC(=O)N(C)CC)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 15/20 0.37
▸ SIRT1 Q96EB6 12/20 0.37
▸ FAP Q12884 3/20 0.37
▸ SIRT3 Q9NTG7 4/20 0.37
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL13410094 1.00 SIRT2 (0.37) SIRT2SIRT1FAPSIRT3OPRK1
SCHEMBL14012288 0.95 SIRT2 (0.38) SIRT2SIRT1FAPSIRT3
SCHEMBL13401564 0.93 FAP (0.42) SIRT2SIRT1FAPSIRT3OPRK1
SCHEMBL13410102 0.93 FAP (0.42) SIRT2SIRT1FAPSIRT3OPRK1
SCHEMBL16327728 0.87 FAP (0.42) SIRT2SIRT1FAPSIRT3OPRK1
SCHEMBL16299921 0.85 FAP (0.45) SIRT2SIRT1FAPSIRT3
SCHEMBL14012282 0.82 FURIN (0.41) SIRT2SIRT1FAPOPRK1
SCHEMBL29692594 0.81 FAP (0.44) SIRT2SIRT1FAPOPRK1
SCHEMBL16350292 0.81 FAP (0.44) SIRT2SIRT1FAPSIRT3
SCHEMBL13410103 0.81 FAP (0.44) SIRT2SIRT1FAPSIRT3

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-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 — — US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 — — 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-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF CLSPN, CD74, ANTXR2 SIRT2 1758/4885SIRT1 1612/4885FAP 1936/4885

“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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