SCHEMBL4097970

SCHEMBL4097970

NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.45
MME P08473 7/20 0.37
SLC15A2 Q16348 1/20 0.34
NOD1 Q9Y239 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
ECE1 P42892 2/20 0.32
QRFPR Q96P65 1/20 0.30

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
SCHEMBL29386274 0.83 MME (0.44) TGFBR1MMESLC15A2ECE1
SCHEMBL3396644 0.81 MME (0.45) TGFBR1MMEECE1
SCHEMBL3396651 0.81 MME (0.45) TGFBR1MMEECE1
SCHEMBL4082850 0.81 TGFBR1 (0.39) TGFBR1MMENOD1
SCHEMBL12292801 0.81 NOD1 (0.46) TGFBR1MMENOD1ECE1
SCHEMBL4086458 0.79 TGFBR1 (0.50) TGFBR1MMESLC15A2CA2CA1
SCHEMBL29456599 0.79 TGFBR1 (0.50) TGFBR1MMESLC15A2CA2CA1
SCHEMBL783082 0.78 TGFBR1 (0.57) TGFBR1MMECA2CA1
SCHEMBL29556650 0.78 TGFBR1 (0.57) TGFBR1MMECA2CA1
SCHEMBL783083 0.78 TGFBR1 (0.57) TGFBR1MMECA2CA1

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 TGFBR1 2913/4885MME 965/4885SLC15A2 344/4885

“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.