SCHEMBL12293296

SCHEMBL12293296

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.44
ECE1 P42892 1/20 0.44
CTSL P07711 2/20 0.44
POLB P06746 1/20 0.44
PSMB1 P20618 1/20 0.43
ANPEP P15144 1/20 0.43
LTA4H P09960 2/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
SLC15A1 P46059 1/20 0.41
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
CTSK P43235 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
SCHEMBL9853329 0.90 POLB (0.55) MMEECE1CTSLPOLBANPEP
SCHEMBL12294438 0.89 ALDH1A1 (0.46) MMECTSLPOLBANPEPALDH1A1
Hydrochloric Acid SCHEMBL9557063 0.89 POLB (0.54) MMEECE1CTSLPOLBANPEP
SCHEMBL12293321 0.87 CTSC (0.52) MMECTSLPOLBANPEPALDH1A1
SCHEMBL13723566 0.83 MME (0.44) MMEECE1CTSLPOLBPSMB1
SCHEMBL12293600 0.83 ALDH1A1 (0.51) MMECTSLPOLBANPEPLTA4H
SCHEMBL2367378 0.83 PSMB1 (0.41) MMEECE1CTSLPOLBPSMB1
SCHEMBL30522069 0.82 SLC15A1 (0.52) MMEECE1CTSLLTA4HALDH1A1
SCHEMBL10825292 0.82 ALDH1A1 (0.56) MMECTSLPOLBANPEPALDH1A1
SCHEMBL30522078 0.81 MME (0.53) MMEECE1CTSLPSMB1LTA4H

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 6 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
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP 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 MME 965/4885ECE1 3037/4885CTSL 196/4885

“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.