SCHEMBL404426

SCHEMBL404426

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
CTSG P08311 1/20 0.47
CYP3A4 P08684 1/20 0.47
PSMB1 P20618 1/20 0.47
CMA1 P23946 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB10 P40306 1/20 0.47
PSMB2 P49721 1/20 0.47
GRM5 P41594 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CTSA P10619 1/20 0.44
SCN9A Q15858 1/20 0.42
CNR2 P34972 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
SCHEMBL402171 0.82 ELANE (0.69) ELANECTSGCYP3A4PSMB1CMA1
SCHEMBL5688783 0.81 GRM5 (0.55) GRM5ALDH1A1HPGDCTSA
SCHEMBL403689 0.78 HDAC8 (0.60) ALDH1A1HPGD
SCHEMBL12837822 0.78 HDAC8 (0.60) ALDH1A1HPGD
SCHEMBL2404959 0.75 ALDH1A1 (0.60) GRM5ALDH1A1HPGDCTSA
SCHEMBL5445989 0.73 ADAM17 (0.52) ALDH1A1
SCHEMBL399472 0.73 ADAM17 (0.52) ALDH1A1
SCHEMBL1094603 0.72 GRM5 (0.59) GRM5ALDH1A1HPGDCTSA
SCHEMBL30218069 0.72 GRM5 (0.59) GRM5ALDH1A1HPGDCTSA
SCHEMBL30913174 0.72 GRM5 (0.52) GRM5ALDH1A1HPGDCTSA

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 33 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.