SCHEMBL13725586

SCHEMBL13725586

CC(C)C[C@@H]1NC(=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](Cc2ccccc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ ITGB3 P05106 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ITGB5 P18084 1/20 0.48
▸ CTSG P08311 2/20 0.48
▸ PLAU P00749 1/20 0.46
▸ KEAP1 Q14145 2/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ KLKB1 P03952 1/20 0.43
▸ NNMT P40261 2/20 0.42
▸ PIN1 Q13526 2/20 0.42
▸ KRAS P01116 2/20 0.41
▸ PCSK9 Q8NBP7 1/20 0.40
▸ ELANE P08246 2/20 0.40
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR4 P31391 1/20 0.39

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
SCHEMBL13724650 0.97 KDM4A (0.46) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL13722938 0.96 PLAU (0.50) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL13725576 0.95 KDM4A (0.49) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL16313894 0.94 CACNA1B (0.49) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL13724136 0.93 NNMT (0.48) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL12293625 0.93 NNMT (0.48) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL13724656 0.92 KDM4A (0.43) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL12293481 0.92 NNMT (0.47) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL13724891 0.92 NNMT (0.47) KDM4ACACNA1BITGB3ITGB1ITGAV
SCHEMBL13724286 0.92 NNMT (0.46) KDM4ACACNA1BITGB3ITGB1ITGAV

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 KDM4A 1460/4885CACNA1B 3490/4885ITGB3 2258/4885

“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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