SCHEMBL4082629

SCHEMBL4082629

COc1ccc(CC(C(=O)O)N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SYK P43405 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 2/20 0.38
BACE1 P56817 4/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL4082634 1.00 KMT2A (0.46) KMT2AMEN1L3MBTL1SYKCA1
SCHEMBL2367746 0.95 KMT2A (0.46) KMT2AMEN1L3MBTL1SYKCA1
SCHEMBL2367173 0.95 KMT2A (0.46) KMT2AMEN1L3MBTL1SYKCA1
SCHEMBL3045978 0.85 MGLL (0.46) KMT2AMEN1SYKSMN1; SMN2BACE1
SCHEMBL3045973 0.85 MGLL (0.46) KMT2AMEN1SYKSMN1; SMN2BACE1
SCHEMBL4089152 0.82 ALDH1A1 (0.53) KMT2AMEN1SYKALDH1A1ALOX15
SCHEMBL4082673 0.82 ALDH1A1 (0.53) KMT2AMEN1SYKALDH1A1ALOX15
SCHEMBL4082106 0.82 ALDH1A1 (0.53) KMT2AMEN1SYKALDH1A1ALOX15
SCHEMBL2367119 0.80 MGLL (0.45) KMT2AMEN1SYKSMN1; SMN2PPARG
SCHEMBL2367000 0.80 KLK5 (0.51) KMT2AMEN1L3MBTL1SYKALDH1A1

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 KMT2A 448/4885MEN1 2317/4885L3MBTL1 509/4885

“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.