SCHEMBL402287

SCHEMBL402287

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.44
MEP1B Q16820 2/20 0.41
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ANPEP P15144 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
SCHEMBL2876648 0.81 MEP1B (0.48) MEP1BBACE1ALDH1A1LMNAMAPK1
SCHEMBL404304 0.81 ALDH1A1 (0.52) ADAM17MEP1BALDH1A1LMNAMAPK1
SCHEMBL12064314 0.81 ALDH1A1 (0.52) ADAM17MEP1BALDH1A1LMNAMAPK1
SCHEMBL399676 0.81 ALDH1A1 (0.52) ADAM17MEP1BALDH1A1LMNAMAPK1
SCHEMBL399832 0.81 ALDH1A1 (0.52) ADAM17MEP1BALDH1A1LMNAMAPK1
SCHEMBL2258599 0.78 MEP1B (0.54) MEP1B
SCHEMBL402286 0.77 MEP1B (0.43) ADAM17MEP1BALDH1A1LMNAMAPK1
SCHEMBL402593 0.77 BACE1 (0.47) MEP1BBACE1ALDH1A1LMNAMAPK1
SCHEMBL10286652 0.75 SDCBP (0.49) MEP1BNPSR1
SCHEMBL2256425 0.75 ADAM17 (0.39) ADAM17MEP1BALDH1A1LMNAMAPK1

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-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-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 ADAM17 1862/4885MEP1B 1047/4885BACE1 1994/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ADAM17 1862/4885MEP1B 1047/4885BACE1 1994/4885

“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.