SCHEMBL10035709

SCHEMBL10035709

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ KLK7 P49862 2/20 0.52
▸ KLK5 Q9Y337 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ PAX8 Q06710 1/20 0.47
▸ TDP1 Q9NUW8 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
SCHEMBL18095595 0.94 SYK (0.54) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL8233297 0.93 SYK (0.52) SYKMAPTKLK7KLK5CTSK
SCHEMBL13599694 0.92 MAPT (0.56) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL19971948 0.91 SIRT2 (0.53) SYKMAPTKLK7KLK5CTSK
SCHEMBL19971941 0.91 SIRT2 (0.53) SYKMAPTKLK7KLK5CTSK
SCHEMBL19971942 0.91 SIRT2 (0.53) SYKMAPTKLK7KLK5CTSK
SCHEMBL19971949 0.91 SIRT2 (0.53) SYKMAPTKLK7KLK5CTSK
SCHEMBL30668140 0.90 KLK7 (0.57) MAPTKLK7KLK5L3MBTL1MEN1
SCHEMBL30065149 0.89 MAPT (0.62) MAPTKLK7KLK5MEN1KMT2A
SCHEMBL30544856 0.89 KLK7 (0.63) SYKMAPTKLK7KLK5MEN1

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 SYK 2702/4885MAPT 2772/4885KLK7 744/4885

“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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