SCHEMBL1109109

SCHEMBL1109109

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)[C@@H](N)CCCN)cc2)cc1)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 5/20 0.44
AAK1 Q2M2I8 1/20 0.41
LTA4H P09960 1/20 0.41
HDAC1 Q13547 1/20 0.40
LNPEP Q9UIQ6 5/20 0.40
PPARG P37231 1/20 0.39
ERAP1 Q9NZ08 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL402759 0.91 ERAP2 (0.42) ERAP2LTA4H
SCHEMBL10286665 0.90 TERT (0.48) ERAP2LTA4HLNPEPPPARG
SCHEMBL1109501 0.89 AAK1 (0.44) ERAP2AAK1HDAC1PPARGTAAR1
SCHEMBL12064325 0.88 USP30 (0.44) LTA4HHDAC1LNPEP
SCHEMBL1109396 0.88 USP30 (0.44) LTA4HHDAC1LNPEP
SCHEMBL10286021 0.87 LNPEP (0.46) ERAP2LTA4HLNPEPERAP1
SCHEMBL14400920 0.86 AAK1 (0.57) AAK1
SCHEMBL1109260 0.86 AAK1 (0.57) AAK1
SCHEMBL10285898 0.86 AAK1 (0.57) AAK1
SCHEMBL10285943 0.86 AAK1 (0.39) ERAP2AAK1HDAC1LNPEPPPARG

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 10 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 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 ERAP2 1084/4885AAK1 3950/4885LTA4H 827/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ERAP2 1084/4885AAK1 3950/4885LTA4H 827/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ERAP2 1084/4885AAK1 3950/4885LTA4H 827/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ERAP2 1084/4885AAK1 3950/4885LTA4H 827/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ERAP2 1084/4885AAK1 3950/4885LTA4H 827/4885

“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.