SCHEMBL8230136

SCHEMBL8230136

CCCCOC(=O)C(CCCNC(=O)C=O)NC(=O)C(C)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ SIRT2 Q8IXJ6 15/20 0.49
▸ SIRT1 Q96EB6 11/20 0.49
▸ SIRT3 Q9NTG7 6/20 0.49
▸ TGM2 P21980 1/20 0.48

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
SCHEMBL10035711 0.93 CTSK (0.49) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL8230194 0.92 TGM2 (0.58) CTSLCTSSTGM2
SCHEMBL8233297 0.88 SYK (0.52) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL10067246 0.85 CTSL (0.53) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL10035707 0.84 TGM2 (0.59) TGM2
SCHEMBL10035709 0.80 SYK (0.54) CTSLCTSS
SCHEMBL8232317 0.80 PSMB5 (0.57) CTSLCTSS
SCHEMBL8232318 0.80 PSMB5 (0.57) CTSLCTSS
SCHEMBL25879987 0.78 ALDH1A1 (0.57) CTSLCTSS
SCHEMBL16907368 0.77 CTSL (0.60) CTSLCTSSSIRT2SIRT1SIRT3

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-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 — — US disclosed
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-02-12 — — US disclosed
WO-2008006113-A2 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2008-01-10 — — 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-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS PSMB1, PSMB10, PBK CTSL 836/4885CTSS 760/4885SIRT2 4029/4885

“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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