SCHEMBL10035721

SCHEMBL10035721

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.55
▸ TPSAB1 Q15661 3/20 0.52
▸ PRSS1 P07477 2/20 0.52
▸ PRSS2 P07478 1/20 0.52
▸ PRSS3 P35030 1/20 0.52
▸ ECE1 P42892 1/20 0.52
▸ CPB1 P15086 1/20 0.52
▸ CPB2 Q96IY4 1/20 0.52
▸ CTSL P07711 2/20 0.51
▸ PLG P00747 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ SIRT2 Q8IXJ6 2/20 0.50
▸ SIRT1 Q96EB6 2/20 0.50
▸ SIRT3 Q9NTG7 2/20 0.50
▸ TLR2 O60603 1/20 0.48
▸ PSMB8 P28062 1/20 0.48
▸ PSMB9 P28065 1/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 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
SCHEMBL10035700 1.00 CTSK (0.55) CTSKTPSAB1PRSS1PRSS2PRSS3
SCHEMBL29674796 0.93 ECE1 (0.59) CTSKTPSAB1PRSS1PRSS2PRSS3
SCHEMBL10067246 0.92 CTSL (0.53) CTSKTPSAB1PRSS1PRSS2PRSS3
SCHEMBL29576990 0.90 ECE1 (0.63) CTSKTPSAB1ECE1CPB1CPB2
SCHEMBL10723335 0.89 PRSS1 (0.61) CTSKTPSAB1PRSS1PRSS2PRSS3
SCHEMBL1841203 0.89 PRSS1 (0.61) CTSKTPSAB1PRSS1PRSS2PRSS3
SCHEMBL1841202 0.89 PRSS1 (0.61) CTSKTPSAB1PRSS1PRSS2PRSS3
SCHEMBL27649586 0.88 CTSK (0.55) CTSKCTSLCTSSPSMB8PSMB9
SCHEMBL6384766 0.88 CTSK (0.55) CTSKCTSLCTSSPSMB8PSMB9
Hydrochloric Acid SCHEMBL8533423 0.88 PRSS1 (0.60) CTSKTPSAB1PRSS1PRSS2PRSS3

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 98/4885TPSAB1 833/4885PRSS1 897/4885

“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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