SCHEMBL13479129

SCHEMBL13479129

CC(C)(C)OC(=O)N[C@@H](Cc1cc(-c2ccc(OCc3ccccc3)c(C[C@H](NC(=O)OCc3ccccc3)C(=O)OCC[Si](C)(C)C)c2)ccc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
SCN9A Q15858 2/20 0.41
SYK P43405 1/20 0.41
BCL2 P10415 2/20 0.40
MCL1 Q07820 1/20 0.40
CYP2C9 P11712 1/20 0.40
PTGER1 P34995 1/20 0.40
MAPT P10636 3/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CTSB P07858 1/20 0.40
KLK7 P49862 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KLK5 Q9Y337 1/20 0.38
CTSL P07711 1/20 0.38

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 0.95 TACR1 (0.47) TACR1SCN9ASYKBCL2MAPT
SCHEMBL4847576 0.95 TACR1 (0.47) TACR1SCN9ASYKBCL2MAPT
SCHEMBL13479127 0.92 CTSS (0.49) TACR1SCN9ASYKBCL2MAPT
SCHEMBL13479128 0.92 TACR1 (0.46) TACR1SCN9ASYKBCL2CYP2C9
SCHEMBL14497710 0.91 CTSS (0.46) TACR1BCL2MAPTCTSSCTSK
SCHEMBL13479135 0.91 TACR1 (0.43) TACR1SCN9ASYKBCL2CYP2C9
SCHEMBL13479142 0.90 NOS1 (0.38) PTGER1MAPTCTSSCTSKCTSB
SCHEMBL14497715 0.90 CTSS (0.42) TACR1SCN9ASYKBCL2MAPT
SCHEMBL4889692 0.89 CTSB (0.47) TACR1SCN9ASYKBCL2CTSS
SCHEMBL13479137 0.89 MEN1 (0.35) TACR1SCN9ASYKBCL2MCL1

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-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 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-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 TACR1 2724/4885SCN9A 4684/4885SYK 2241/4885

“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.