SCHEMBL8230194

SCHEMBL8230194

C=CC(=O)NCCCC(NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 19/20 0.58
▸ F13A1 P00488 1/20 0.50
▸ TGM1 P22735 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSS P25774 1/20 0.50

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
SCHEMBL10035707 0.93 TGM2 (0.59) TGM2F13A1TGM1
SCHEMBL8230136 0.92 CTSL (0.51) TGM2CTSLCTSS
SCHEMBL8233297 0.86 SYK (0.52) CTSLCTSS
SCHEMBL10067246 0.84 CTSL (0.53) CTSLCTSS
SCHEMBL10035711 0.84 CTSK (0.49) TGM2CTSLCTSS
SCHEMBL19463544 0.80 TGM2 (0.77) TGM2F13A1TGM1
SCHEMBL19463546 0.80 TGM2 (0.77) TGM2F13A1TGM1
SCHEMBL8232317 0.79 PSMB5 (0.57) CTSLCTSS
SCHEMBL8232318 0.79 PSMB5 (0.57) CTSLCTSS
SCHEMBL10035709 0.78 SYK (0.54) CTSLCTSS

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 TGM2 3200/4885F13A1 3893/4885TGM1 1208/4885

“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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