SCHEMBL403767

SCHEMBL403767

CC(C)(C)N(C[C@H](NCc1ccc(C#CC#Cc2ccccc2)cc1)C(=O)NO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MEP1B Q16820 2/20 0.38
ANPEP P15144 1/20 0.37
CTSK P43235 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
SCHEMBL403768 1.00 MMP2 (0.41) MMP2MMP9MEP1BANPEPCTSK
SCHEMBL2257126 0.83 MMP2 (0.43) MMP2MMP9MEP1BANPEPCTSK
SCHEMBL402277 0.83 MMP2 (0.43) MMP2MMP9MEP1BANPEPCTSK
SCHEMBL1095740 0.83
SCHEMBL2255668 0.83
SCHEMBL405951 0.80 MEP1B (0.43) MEP1BANPEP
SCHEMBL2876198 0.78 ANPEP (0.42) MEP1BANPEPCTSK
SCHEMBL2876201 0.78 ANPEP (0.42) MEP1BANPEPCTSK
SCHEMBL12056257 0.78 CTSS (0.41) ANPEPCTSK
SCHEMBL2255665 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MMP2 450/4885MMP9 1472/4885MEP1B 1047/4885

“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.