SCHEMBL2367233

SCHEMBL2367233

CC(C)(C)OC(=O)Nc1cccc(C[C@H](N)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.64
NOS3 P29474 3/20 0.62
NOS1 P29475 3/20 0.62
NOS2 P35228 3/20 0.62
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
GRIA2 P42262 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
NPY1R P25929 1/20 0.45
PPARG P37231 1/20 0.44
CYP17A1 P05093 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44

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
SCHEMBL3050840 1.00 SLC7A5 (0.64) SLC7A5NOS3NOS1NOS2ALPI
SCHEMBL2367419 0.89 SLC7A5 (0.50) SLC7A5NOS3NOS1NOS2AURKA
SCHEMBL27554182 0.86 SLC7A5 (0.46) SLC7A5NOS3NOS1NOS2AURKA
SCHEMBL20215005 0.85 AURKA (0.47) SLC7A5NOS3NOS1NOS2AURKA
SCHEMBL16856591 0.85 AURKA (0.47) SLC7A5NOS3NOS1NOS2AURKA
SCHEMBL20204195 0.85 AURKA (0.47) SLC7A5NOS3NOS1NOS2AURKA
SCHEMBL10884035 0.85 NOS3 (0.48) SLC7A5NOS3NOS1NOS2AURKA
SCHEMBL2309189 0.84 PPARG (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL21689917 0.84 PPARG (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2617177 0.84 PPARG (0.55) SLC7A5ALPIPKMPTGS1XIAP

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
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 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 (2 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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC SLC7A5 337/4885NOS3 3453/4885NOS1 2016/4885
US-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST SLC7A5 298/4885NOS3 4311/4885NOS1 4189/4885

“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.