SCHEMBL2367085

SCHEMBL2367085

CCCCOC(=O)OC(=O)C[C@H](N)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC2A1 P11166 1/20 0.37
LMNA P02545 4/20 0.37
TSHR P16473 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE4D Q08499 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 3/20 0.36
MGLL Q99685 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL5720982 0.89 SLC2A1 (0.43) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL2367172 0.85 ALDH1A1 (0.48) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL5720856 0.81 MEN1 (0.40) SMN1; SMN2SLC2A1LMNATSHRCYP1A2
SCHEMBL5720859 0.78 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL5720898 0.77 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL5720923 0.76 SLC2A1 (0.43) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL5720835 0.76 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL5720925 0.76 FAAH (0.47) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL5720899 0.76 FAAH (0.48) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL5720836 0.75 TSHR (0.49) SMN1; SMN2L3MBTL1NPC1RAB9ASLC2A1

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-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP 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 SMN1; SMN2 4112/4885L3MBTL1 509/4885HPGD 1668/4885

“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.