SCHEMBL6037912

SCHEMBL6037912

Cn1cc(C[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)C(=O)NCCCCC(=O)O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ SIRT5 Q9NXA8 2/20 0.52
▸ SIRT2 Q8IXJ6 5/20 0.49
▸ SIRT1 Q96EB6 4/20 0.49
▸ SIRT3 Q9NTG7 3/20 0.49
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ PTGER4 P35408 3/20 0.48
▸ PSMB8 P28062 1/20 0.47
▸ PSMB9 P28065 1/20 0.47
▸ PSMB5 P28074 1/20 0.47

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
SCHEMBL6038017 0.95 IDO1 (0.52) IDO1SIRT5SIRT2SIRT1SIRT3
SCHEMBL6038019 0.95 IDO1 (0.52) IDO1SIRT5SIRT2SIRT1SIRT3
SCHEMBL18413846 0.90 IDO1 (0.53) IDO1SIRT5ITGB3ITGA2BPSMB8
SCHEMBL6038186 0.87 IDO1 (0.55) IDO1
SCHEMBL20154776 0.85 IDO1 (0.57) IDO1PSMB8PSMB9PSMB5
SCHEMBL18395634 0.85 IDO1 (0.57) IDO1PSMB8PSMB9PSMB5
SCHEMBL18395958 0.84 TACR1 (0.47) IDO1ITGB3ITGA2B
SCHEMBL18395955 0.84 TACR1 (0.47) IDO1ITGB3ITGA2B
SCHEMBL18407273 0.83 IDO1 (0.47) IDO1
SCHEMBL22750125 0.82 PTGER4 (0.64) SIRT5SIRT2SIRT1SIRT3ITGB3

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 — — US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 — — 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 IDO1 1132/4885SIRT5 155/4885SIRT2 103/4885

“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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