SCHEMBL4847576

SCHEMBL4847576

CC(C)(C)OC(=O)NC(Cc1cc(-c2ccc(OCc3ccccc3)c(CC(NC(=O)OCc3ccccc3)C(=O)OCC[Si](C)(C)C)c2)ccc1OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.47
SYK P43405 1/20 0.44
SCN9A Q15858 2/20 0.44
CTSS P25774 5/20 0.43
CTSK P43235 3/20 0.43
CTSB P07858 2/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KLK7 P49862 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCL2 P10415 1/20 0.41
CTSL P07711 1/20 0.41
KLK5 Q9Y337 1/20 0.41
PPARA Q07869 1/20 0.40

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
SCHEMBL1023687 1.00 TACR1 (0.47) TACR1SYKSCN9ACTSSCTSK
SCHEMBL13479127 0.97 CTSS (0.49) TACR1SYKSCN9ACTSSCTSK
SCHEMBL13479128 0.96 TACR1 (0.46) TACR1SYKSCN9ACTSSCTSK
SCHEMBL13479129 0.95 TACR1 (0.43) TACR1SYKSCN9ACTSSCTSK
SCHEMBL13479135 0.95 TACR1 (0.43) TACR1SYKSCN9ACTSSCTSK
SCHEMBL14497710 0.95 CTSS (0.46) TACR1CTSSCTSKCTSBMAPT
SCHEMBL14497715 0.94 CTSS (0.42) TACR1SYKSCN9ACTSSCTSK
SCHEMBL4889692 0.94 CTSB (0.47) TACR1SYKSCN9ACTSSCTSK
SCHEMBL13479136 0.93 CTSS (0.42) TACR1SYKSCN9ACTSSCTSK
SCHEMBL14497714 0.93 CTSS (0.45) TACR1SYKSCN9ACTSSCTSK

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-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
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 US disclosed
US-20060258571-A1 Antibacterial ester macrocycles AICURIS GMBH & CO. KG (DE) 2006-11-16 US disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 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 (4 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-20070129288-A1 Antibacterial amide macrocycles AADAC, AAAS, MRPL21 TACR1 2316/4885SYK 3831/4885SCN9A 3190/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC TACR1 2730/4885SYK 3060/4885SCN9A 3327/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 TACR1 2610/4885SYK 3666/4885SCN9A 3972/4885
US-20060258571-A1 Antibacterial ester macrocycles TECR, MRPL21, CYP51A1 TACR1 2875/4885SYK 1443/4885SCN9A 3984/4885

“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.