SCHEMBL2876644

SCHEMBL2876644

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 4/20 0.42
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
ADAM17 P78536 1/20 0.38
ANPEP P15144 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
MMP3 P08254 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
SCHEMBL404304 0.84 ALDH1A1 (0.52) MEP1BALDH1A1LMNAMAPK1HTT
SCHEMBL12064314 0.84 ALDH1A1 (0.52) MEP1BALDH1A1LMNAMAPK1HTT
SCHEMBL399676 0.84 ALDH1A1 (0.52) MEP1BALDH1A1LMNAMAPK1HTT
SCHEMBL399832 0.84 ALDH1A1 (0.52) MEP1BALDH1A1LMNAMAPK1HTT
SCHEMBL2876648 0.82 MEP1B (0.48) MEP1BALDH1A1LMNAMAPK1HTT
SCHEMBL2258599 0.82 MEP1B (0.54) MEP1B
SCHEMBL402286 0.81 MEP1B (0.43) MEP1BALDH1A1LMNAMAPK1HTT
SCHEMBL402593 0.81 BACE1 (0.47) MEP1BALDH1A1LMNAMAPK1HTT
SCHEMBL2256425 0.78 ADAM17 (0.39) MEP1BALDH1A1LMNAMAPK1HTT
SCHEMBL5130164 0.78 MEP1B (0.58) MEP1BALDH1A1ADAM17ANPEP

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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (5 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS MEP1B 1047/4885ALDH1A1 782/4885LMNA 3397/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MEP1B 1047/4885ALDH1A1 782/4885LMNA 3397/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEP1B 1047/4885ALDH1A1 782/4885LMNA 3397/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEP1B 1047/4885ALDH1A1 782/4885LMNA 3397/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MEP1B 1047/4885ALDH1A1 782/4885LMNA 3397/4885

“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.