SCHEMBL402286

SCHEMBL402286

C[C@@H](O)[C@H](NCc1ccc(-c2ccc(CN(C(=O)O)C(C)(C)C)cc2)cc1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.43
ADAM17 P78536 2/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ANPEP P15144 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2256425 0.90 ADAM17 (0.39) MEP1BADAM17ALDH1A1LMNAHTT
SCHEMBL12064314 0.82 ALDH1A1 (0.52) MEP1BADAM17ALDH1A1LMNAHDAC1
SCHEMBL399676 0.82 ALDH1A1 (0.52) MEP1BADAM17ALDH1A1LMNAHDAC1
SCHEMBL399832 0.82 ALDH1A1 (0.52) MEP1BADAM17ALDH1A1LMNAHDAC1
SCHEMBL404304 0.82 ALDH1A1 (0.52) MEP1BADAM17ALDH1A1LMNAHDAC1
SCHEMBL2876644 0.81 MEP1B (0.42) MEP1BADAM17ALDH1A1LMNAITGB3
SCHEMBL2876648 0.80 MEP1B (0.48) MEP1BALDH1A1LMNAMEN1KMT2A
SCHEMBL2258599 0.80 MEP1B (0.54) MEP1BKMT2AHDAC1HDAC6
SCHEMBL402593 0.79 BACE1 (0.47) MEP1BALDH1A1LMNAITGB3ITGB1
SCHEMBL402287 0.77 ADAM17 (0.44) MEP1BADAM17ALDH1A1LMNAHTT

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 6 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
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEP1B 1047/4885ADAM17 1862/4885ALDH1A1 782/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MEP1B 1047/4885ADAM17 1862/4885ALDH1A1 782/4885

“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.