SCHEMBL1109219

SCHEMBL1109219

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)[C@@H](N)Cc3ccc(N)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.49
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ROCK2 O75116 1/20 0.42
LNPEP Q9UIQ6 4/20 0.41
HDAC8 Q9BY41 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL1109555 0.92 ERAP2 (0.47) ERAP2ROCK2LNPEPHDAC8USP30
SCHEMBL10286738 0.92 ERAP2 (0.56) ERAP2ROCK2LNPEPHDAC8ERAP1
SCHEMBL437218 0.91 ERAP2 (0.47) ERAP2NPC1RAB9A
SCHEMBL1109150 0.91 BACE1 (0.47) ERAP2NPC1RAB9ALNPEPHDAC8
SCHEMBL1109501 0.85 AAK1 (0.44) ERAP2HDAC8AAK1
SCHEMBL10285898 0.84 AAK1 (0.57) AAK1
SCHEMBL1109260 0.84 AAK1 (0.57) AAK1
SCHEMBL14400920 0.84 AAK1 (0.57) AAK1
SCHEMBL10272727 0.84 CA2 (0.47) NPC1RAB9A
SCHEMBL1109169 0.84 CA2 (0.47) NPC1RAB9A

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 ERAP2 1084/4885NPC1 371/4885RAB9A 557/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ERAP2 1084/4885NPC1 371/4885RAB9A 557/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ERAP2 1084/4885NPC1 371/4885RAB9A 557/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ERAP2 1084/4885NPC1 371/4885RAB9A 557/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ERAP2 1084/4885NPC1 371/4885RAB9A 557/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ERAP2 1084/4885NPC1 371/4885RAB9A 557/4885

“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.