SCHEMBL13724891

SCHEMBL13724891

CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)[C@H]([C@H](O)C(C)C)NC(=O)[C@@H](N)[C@@H](c2ccccc2)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)[C@H]([C@H](C)O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 2/20 0.47
▸ PLAU P00749 1/20 0.46
▸ KLKB1 P03952 2/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ ITGA5 P08648 1/20 0.44
▸ ITGB5 P18084 1/20 0.44
▸ KDM4A O75164 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ ELANE P08246 4/20 0.43
▸ CTSG P08311 1/20 0.41
▸ PSMB11 A5LHX3 1/20 0.40
▸ PSMA7 O14818 1/20 0.40
▸ PSMB1 P20618 1/20 0.40
▸ PSMA1 P25786 1/20 0.40
▸ PSMA2 P25787 1/20 0.40
▸ PSMA3 P25788 1/20 0.40
▸ PSMA4 P25789 1/20 0.40
▸ PSMB8 P28062 1/20 0.40

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
SCHEMBL12293481 1.00 NNMT (0.47) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL13724136 0.99 NNMT (0.48) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL12293625 0.99 NNMT (0.48) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL13724286 0.97 NNMT (0.46) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL13723864 0.97 NNMT (0.46) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL16507705 0.96 NNMT (0.49) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL13724709 0.96 PLAU (0.48) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL13722938 0.96 PLAU (0.50) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL13724150 0.96 NNMT (0.50) NNMTPLAUKLKB1ITGB3ITGB1
SCHEMBL13725054 0.96 NNMT (0.50) NNMTPLAUKLKB1ITGB3ITGB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 — — US disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 — — US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 — — US disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 — — 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST NNMT 870/4885PLAU 514/4885KLKB1 1687/4885

“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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