SCHEMBL1020935

SCHEMBL1020935

COP(=O)(OC)C(CC[Si](C)(C)C)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KYNU Q16719 1/20 0.44
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
CTSS P25774 4/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSK P43235 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
ELANE P08246 1/20 0.39
PRTN3 P24158 1/20 0.39

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
SCHEMBL8171689 0.77 MEN1 (0.52) MEN1KMT2AKYNULMNASMN1; SMN2
SCHEMBL2468050 0.77 MEN1 (0.52) MEN1KMT2AKYNULMNASMN1; SMN2
SCHEMBL17228794 0.74 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2ATM
SCHEMBL16696007 0.74 LMNA (0.50) MEN1KMT2AKYNULMNASMN1; SMN2
SCHEMBL17228792 0.73 CTSS (0.52) MEN1KMT2ALMNASMN1; SMN2ATM
SCHEMBL8050092 0.72 LMNA (0.55) MEN1KMT2AKYNULMNASMN1; SMN2
SCHEMBL16862544 0.72 ITGB3 (0.42) MEN1KMT2ALMNASMN1; SMN2ATM
SCHEMBL16862497 0.71 SMN1; SMN2 (0.47) LMNASMN1; SMN2ATMHSD17B10NPC1
SCHEMBL17841807 0.71 SMN1; SMN2 (0.47) LMNASMN1; SMN2ATMHSD17B10NPC1
SCHEMBL1853557 0.70 CA12 (0.43) ATMCTSSCTSKCTSLCTSB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 WO disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 US disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 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 (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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC MEN1 2081/4885KMT2A 3059/4885KYNU 2567/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 MEN1 1754/4885KMT2A 2507/4885KYNU 3154/4885

“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.