SCHEMBL11964063

SCHEMBL11964063

C=C1C=CC(=O)N1CCC(=O)NCCNC(=O)C(CCCCNC(=O)OC)NC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 7/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ GLP1R P43220 8/20 0.33
▸ SIRT1 Q96EB6 5/20 0.33
▸ SIRT3 Q9NTG7 3/20 0.33
▸ TPSAB1 Q15661 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ CPB2 Q96IY4 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
SCHEMBL11964062 0.93 AKT1 (0.42) SIRT2AKT1GLP1RSIRT1SIRT3
SCHEMBL14755924 0.91 AKT1 (0.41) SIRT2AKT1GLP1RSIRT1SIRT3
SCHEMBL17488484 0.85 AKT1 (0.40) SIRT2AKT1GLP1RSIRT1SIRT3
SCHEMBL18084214 0.85 AKT1 (0.42) SIRT2AKT1GLP1RSIRT1SIRT3
SCHEMBL14542727 0.85 AKT1 (0.36) SIRT2AKT1SIRT1
SCHEMBL12389311 0.83 SIRT2 (0.42) SIRT2AKT1SIRT1SIRT3TPSAB1
SCHEMBL277647 0.82 SIRT2 (0.45) SIRT2AKT1SIRT1SIRT3TPSAB1
SCHEMBL18480125 0.80 AKT1 (0.39) SIRT2AKT1GLP1RSIRT1SIRT3
SCHEMBL15445007 0.80 SIRT2 (0.38) SIRT2GLP1RSIRT1SIRT3TPSAB1
SCHEMBL14016183 0.80 AKT1 (0.40) SIRT2AKT1SIRT1SIRT3CA1

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-8454959-B2 Compositions monovalent for CD28 binding and methods of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-06-04 — — US disclosed
US-20120201814-A1 COMPOSITIONS MONOVALENT FOR CD28 BINDING AND METHODS OF USE DOMANTIS LTD. (GB) 2012-08-09 — — 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-20120201814-A1 COMPOSITIONS MONOVALENT FOR CD28 BINDING AND METHODS OF USE CD69, CD40LG, CD40 SIRT2 3484/4885AKT1 2929/4885GLP1R 1475/4885

“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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