SCHEMBL4082893

SCHEMBL4082893

COc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)OCC[Si](C)(C)C)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SYK P43405 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSS P25774 6/20 0.43
CTSB P07858 5/20 0.43
CTSL P07711 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CTSK P43235 4/20 0.41
KLK5 Q9Y337 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41

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
SCHEMBL4086531 1.00 KMT2A (0.44) KMT2AMEN1SYKMAPTKDM4E
SCHEMBL2367000 0.90 KLK5 (0.51) KMT2AMEN1SYKMAPTCTSS
SCHEMBL27745756 0.90 KLK5 (0.51) KMT2AMEN1SYKMAPTCTSS
SCHEMBL4082673 0.88 ALDH1A1 (0.53) KMT2AMEN1SYKITGA4ITGB7
SCHEMBL4089152 0.88 ALDH1A1 (0.53) KMT2AMEN1SYKITGA4ITGB7
SCHEMBL4082106 0.88 ALDH1A1 (0.53) KMT2AMEN1SYKITGA4ITGB7
SCHEMBL8070826 0.83 ACE (0.53) SYKMAPTCTSSCTSBCTSL
SCHEMBL29466819 0.80 CTSL (0.61) CTSSCTSBCTSLCTSKALDH1A1
SCHEMBL13723801 0.79 SYK (0.63) SYKMAPTCTSSCTSBCTSL
SCHEMBL13479127 0.79 CTSS (0.49) SYKMAPTKDM4ETDP1CTSS

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 2317/4885SYK 2789/4885

“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.