SCHEMBL402277

SCHEMBL402277

CC(C)(C)N(C[C@H](NCc1ccc(/C=C/c2ccccc2)cc1)C(=O)NO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MEP1B Q16820 6/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ANPEP P15144 3/20 0.39
ADAM17 P78536 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 1/20 0.37
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL2257126 1.00 MMP2 (0.43) MMP2MMP9MEP1BHDAC1HDAC3
SCHEMBL403768 0.83 MMP2 (0.41) MMP2MMP9MEP1BANPEPCTSK
SCHEMBL403767 0.83 MMP2 (0.41) MMP2MMP9MEP1BANPEPCTSK
SCHEMBL403330 0.79 MEP1B (0.46) MMP2MMP9MEP1BHDAC1HDAC3
SCHEMBL403331 0.79 MEP1B (0.46) MMP2MMP9MEP1BHDAC1HDAC3
SCHEMBL4232154 0.77 ANPEP (0.45) MMP2MMP9MEP1BHDAC1HDAC3
SCHEMBL2875949 0.77 ANPEP (0.45) MMP2MMP9MEP1BHDAC1HDAC3
SCHEMBL4232159 0.77 ANPEP (0.45) MMP2MMP9MEP1BHDAC1HDAC3
SCHEMBL2257129 0.76 PPARG (0.43) MMP2MMP9HDAC1HDAC8ANPEP
SCHEMBL1912180 0.76 PPARG (0.43) MMP2MMP9HDAC1HDAC8ANPEP

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.