SCHEMBL1109498

SCHEMBL1109498

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)[C@H](N)CCc3ccccc3)cc2)cc1)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 7/20 0.57
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ERAP2 Q6P179 2/20 0.49
ERAP1 Q9NZ08 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL403424 0.92 LNPEP (0.54) LNPEPKMT2AMEN1ERAP2ERAP1
SCHEMBL1109150 0.90 BACE1 (0.47) LNPEPERAP2TAAR1
SCHEMBL10286021 0.88 LNPEP (0.46) LNPEPKMT2AMEN1ERAP2ERAP1
SCHEMBL1109109 0.85 ERAP2 (0.44) LNPEPERAP2ERAP1TAAR1
SCHEMBL1109501 0.84 AAK1 (0.44) ERAP2TAAR1
SCHEMBL14400920 0.83 AAK1 (0.57)
SCHEMBL1109260 0.83 AAK1 (0.57)
SCHEMBL10285898 0.83 AAK1 (0.57)
SCHEMBL1109555 0.83 ERAP2 (0.47) LNPEPERAP2
SCHEMBL10285943 0.83 AAK1 (0.39) LNPEPERAP2TAAR1

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 11 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-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-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 (6 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 LNPEP 1007/4885KMT2A 4800/4885MEN1 2414/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS LNPEP 1007/4885KMT2A 4800/4885MEN1 2414/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS LNPEP 1007/4885KMT2A 4800/4885MEN1 2414/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LNPEP 1007/4885KMT2A 4800/4885MEN1 2414/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LNPEP 1007/4885KMT2A 4800/4885MEN1 2414/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS LNPEP 1007/4885KMT2A 4800/4885MEN1 2414/4885

“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.