SCHEMBL10035711

SCHEMBL10035711

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=O)C=O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.49
▸ CTSL P07711 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ TGM2 P21980 6/20 0.48
▸ SIRT2 Q8IXJ6 6/20 0.47
▸ SIRT1 Q96EB6 6/20 0.47
▸ SIRT3 Q9NTG7 4/20 0.47
▸ CAPN1 P07384 1/20 0.47
▸ CAPN2 P17655 1/20 0.47
▸ 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
SCHEMBL8230136 0.93 CTSL (0.51) CTSLCTSSTGM2SIRT2SIRT1
SCHEMBL10035707 0.91 TGM2 (0.59) TGM2
SCHEMBL10035709 0.87 SYK (0.54) CTSKCTSLCTSS
SCHEMBL8230194 0.84 TGM2 (0.58) CTSLCTSSTGM2
SCHEMBL10035721 0.83 CTSK (0.55) CTSKCTSLCTSSSIRT2SIRT1
SCHEMBL27649586 0.83 CTSK (0.55) CTSKCTSLCTSSCAPN1PSMB8
SCHEMBL10035700 0.83 CTSK (0.55) CTSKCTSLCTSSSIRT2SIRT1
SCHEMBL6384766 0.83 CTSK (0.55) CTSKCTSLCTSSCAPN1PSMB8
SCHEMBL9293333 0.81 FOLH1 (0.68) TGM2SIRT2SIRT1
SCHEMBL18095595 0.81 SYK (0.54) CTSKTGM2SIRT2SIRT1CAPN1

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-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

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 CTSK 98/4885CTSL 836/4885CTSS 760/4885

“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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