SCHEMBL405116

SCHEMBL405116

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)[C@@H](N)Cc3ccc(C(=O)O)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.49
ERAP2 Q6P179 1/20 0.45
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL400779 0.93 ACACB (0.46) ACACB
SCHEMBL461810 0.93 ERAP2 (0.54) ACACBERAP2
SCHEMBL437218 0.93 ERAP2 (0.47) ACACBERAP2
SCHEMBL1109555 0.91 ERAP2 (0.47) ERAP2HDAC8
SCHEMBL2261583 0.89 ACACB (0.47) ACACBHDAC8
SCHEMBL402228 0.86
SCHEMBL405324 0.85 AAK1 (0.46)
SCHEMBL1109150 0.84 BACE1 (0.47) ERAP2HDAC8
SCHEMBL403424 0.84 LNPEP (0.54) ERAP2
SCHEMBL405146 0.84

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 18 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-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-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-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-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-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-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
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 ACACB 3199/4885ERAP2 1084/4885HDAC8 2159/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ACACB 3199/4885ERAP2 1084/4885HDAC8 2159/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ACACB 3199/4885ERAP2 1084/4885HDAC8 2159/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ACACB 3199/4885ERAP2 1084/4885HDAC8 2159/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ACACB 3199/4885ERAP2 1084/4885HDAC8 2159/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ACACB 3199/4885ERAP2 1084/4885HDAC8 2159/4885

“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.