SCHEMBL13724709

SCHEMBL13724709

CC[C@H](C)C1NC(=O)[C@H]([C@H](O)C(C)C)NC(=O)[C@@H](N)[C@@H](c2ccccc2)NC(=O)C(CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.48
▸ NNMT P40261 2/20 0.46
▸ KDM4A O75164 1/20 0.45
▸ KLKB1 P03952 1/20 0.44
▸ CTSG P08311 1/20 0.43
▸ CACNA1B Q00975 1/20 0.41
▸ ITGB3 P05106 2/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ ITGB5 P18084 1/20 0.40
▸ ST14 Q9Y5Y6 1/20 0.40
▸ KEAP1 Q14145 2/20 0.39
▸ ELANE P08246 4/20 0.39
▸ PSMB11 A5LHX3 1/20 0.38
▸ PSMA7 O14818 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMA1 P25786 1/20 0.38
▸ PSMA2 P25787 1/20 0.38
▸ PSMA3 P25788 1/20 0.38

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
SCHEMBL13725026 0.98 NNMT (0.48) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL13724727 0.98 PLAU (0.47) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL13724136 0.97 NNMT (0.48) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL12293625 0.97 NNMT (0.48) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL13724891 0.96 NNMT (0.47) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL12293481 0.96 NNMT (0.47) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL13724286 0.96 NNMT (0.46) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL13723864 0.96 NNMT (0.46) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL13725570 0.96 PLAU (0.45) PLAUNNMTKDM4AKLKB1CTSG
SCHEMBL13725569 0.96 PLAU (0.46) PLAUNNMTKDM4AKLKB1CTSG

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 5 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
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 PLAU 514/4885NNMT 870/4885KDM4A 1460/4885

“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.

Send feedback