SCHEMBL4082364

SCHEMBL4082364

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.56
ITGB3 P05106 4/20 0.56
ITGA2B P08514 4/20 0.56
CTSL P07711 3/20 0.56
ACE P12821 1/20 0.56
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TPSAB1 Q15661 1/20 0.54
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
CTSS P25774 1/20 0.54
SIRT2 Q8IXJ6 2/20 0.52
SIRT1 Q96EB6 2/20 0.52
SIRT3 Q9NTG7 2/20 0.52
TLR2 O60603 2/20 0.51
MME P08473 1/20 0.49

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
SCHEMBL24188458 0.94 ECE1 (0.62) ECE1ITGB3ITGA2BCTSLACE
SCHEMBL2367228 0.89 ITGB3 (0.64) ECE1ITGB3ITGA2BCTSLACE
SCHEMBL210602 0.89 ITGB3 (0.64) ECE1ITGB3ITGA2BCTSLACE
SCHEMBL210601 0.89 ITGB3 (0.64) ECE1ITGB3ITGA2BCTSLACE
Hydrochloric Acid SCHEMBL2500832 0.88 ITGB3 (0.63) ECE1ITGB3ITGA2BCTSLACE
SCHEMBL9572336 0.88 CTSK (0.55) CTSLCTSSMME
SCHEMBL9572337 0.88 CTSK (0.55) CTSLCTSSMME
Hydrochloric Acid SCHEMBL4854742 0.87 CPB1 (0.58) CTSLPRSS1PRSS2PRSS3TPSAB1
SCHEMBL27757961 0.87 ITGB3 (0.66) ECE1ITGB3ITGA2BCTSLACE
SCHEMBL14421191 0.87 ITGB3 (0.66) ECE1ITGB3ITGA2BCTSLACE

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-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

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 ECE1 3037/4885ITGB3 2258/4885ITGA2B 1039/4885

“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.