SCHEMBL402171

SCHEMBL402171

C[C@@H](O)[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)NO

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.69
CTSG P08311 1/20 0.69
CYP3A4 P08684 1/20 0.69
PSMB1 P20618 1/20 0.69
CMA1 P23946 1/20 0.69
PSMB8 P28062 1/20 0.69
PSMB9 P28065 1/20 0.69
PSMB5 P28074 1/20 0.69
PSMB10 P40306 1/20 0.69
PSMB2 P49721 1/20 0.69
CNR2 P34972 3/20 0.59
CNR1 P21554 1/20 0.57
SCN9A Q15858 2/20 0.54
CTSA P10619 5/20 0.51
KAT6A Q92794 1/20 0.46
P2RY12 Q9H244 2/20 0.45

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
SCHEMBL10070161 0.88 ELANE (0.67) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL10070162 0.86 SCN9A (0.71) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL15614839 0.85 PSMB5 (0.76) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL18331485 0.85 ELANE (0.79) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL7873211 0.85 ELANE (0.79) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL608033 0.84 PSMB5 (0.68) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL21210619 0.83 ELANE (0.76) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL21210497 0.83 ELANE (0.76) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL608032 0.83 ELANE (0.67) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL21481155 0.83 CNR2 (0.62) ELANECTSGCYP3A4PSMB1CMA1

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 32 patents — showing the first 20. 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-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-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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-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-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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (3 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 ELANE 20/4885CTSG 370/4885CYP3A4 85/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ELANE 20/4885CTSG 370/4885CYP3A4 85/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ELANE 20/4885CTSG 370/4885CYP3A4 85/4885

“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.