SCHEMBL1666835

SCHEMBL1666835

CC(C)C[C@H](NCl)B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 18/20 0.43
▸ PSMB8 P28062 3/20 0.43
▸ ANPEP P15144 1/20 0.42
▸ PSMB1 P20618 3/20 0.39
▸ PSMB11 A5LHX3 2/20 0.39
▸ PSMA7 O14818 2/20 0.39
▸ PSMA1 P25786 2/20 0.39
▸ PSMA2 P25787 2/20 0.39
▸ PSMA3 P25788 2/20 0.39
▸ PSMA4 P25789 2/20 0.39
▸ PSMB9 P28065 2/20 0.39
▸ PSMA5 P28066 2/20 0.39
▸ PSMB4 P28070 2/20 0.39
▸ PSMB6 P28072 2/20 0.39
▸ PSMB10 P40306 2/20 0.39
▸ PSMB3 P49720 2/20 0.39
▸ PSMB2 P49721 2/20 0.39
▸ PSMA6 P60900 2/20 0.39
▸ PSMA8 Q8TAA3 2/20 0.39
▸ PSMB7 Q99436 2/20 0.39

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
SCHEMBL26257809 0.77 PSMB5 (0.44) PSMB5PSMB8ANPEPPSMB1PSMB11
SCHEMBL21709722 0.73 PSMB5 (0.46) PSMB5PSMB8ANPEPPSMB1PSMB11
SCHEMBL10952773 0.70 PSMB5 (0.56) PSMB5PSMB8PSMB1PSMB11PSMA7
SCHEMBL22149328 0.70 PSMB5 (0.43) PSMB5PSMB8ANPEPPSMB1PSMB11
SCHEMBL21558113 0.69 PSMB5 (0.54) PSMB5PSMB8PSMB1PSMB11PSMA7
SCHEMBL12340799 0.66 DPP4 (0.57) PSMB5PSMB8ANPEPPSMB1PSMB11
SCHEMBL12340797 0.66 DPP8 (0.62) PSMB5PSMB8PSMB1PSMB11PSMA7
SCHEMBL12340810 0.66 PSMB5 (0.44) PSMB5PSMB8ANPEPPSMB1PSMB11
SCHEMBL12340807 0.66 PSMB5 (0.60) PSMB5PSMB8PSMB1PSMB11PSMA7
SCHEMBL10951919 0.65 — —

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227201-A1 Antimicrobial Gel Formulations NOVABAY PHARMACEUTICALS, INC. 2014-08-14 — — US claimed
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections NOVABAY PHARMACEUTICALS, INC. 2011-06-23 — — US claimed
EP-2265267-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NovaBay Pharmaceuticals, Inc. (US) 2010-12-29 — — EP claimed
US-20100272783-A1 Methods of Treating Infections of the Nail NOVABAY PHARMACEUTICALS, INC. 2010-10-28 — — US claimed
WO-2010124237-A1 METHODS OF TREATING INFECTIONS OF THE NAIL NOVABAY PHARMACEUTICALS INC. (US) 2010-10-28 — — WO claimed
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. 2010-03-25 — — US claimed
WO-2009126912-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NOVABAY PHARMACEUTICALS, INC. (US) 2009-10-15 — — WO claimed
EP-1896001-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-03-12 — — EP claimed
WO-2006081392-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2006-08-03 — — WO claimed
EP-2265267-B1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS GOTTARDI WALDEMAR (AT) 2016-09-21 — — EP disclosed
US-20140227201-A1 Antimicrobial Gel Formulations NOVABAY PHARMACEUTICALS, INC. 2014-08-14 — — US disclosed
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections NOVABAY PHARMACEUTICALS, INC. 2011-06-23 — — US disclosed
EP-2312939-A1 ANTIMICROBIAL GEL FORMULATIONS NovaBay Pharmaceuticals, Inc. (US) 2011-04-27 — — EP disclosed
EP-2265267-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NovaBay Pharmaceuticals, Inc. (US) 2010-12-29 — — EP disclosed
WO-2010019723-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-02-18 — — WO disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 — — WO disclosed
WO-2009126912-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NOVABAY PHARMACEUTICALS, INC. (US) 2009-10-15 — — WO disclosed
EP-1896001-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-03-12 — — EP disclosed
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them NOVABAY PHARMACEUTICALS, INC. 2006-11-02 — — US disclosed
WO-2006081392-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2006-08-03 — — WO 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 (5 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-20100272783-A1 Methods of Treating Infections of the Nail POLR1C, TYR, NACA PSMB5 1981/4885PSMB8 1922/4885ANPEP 223/4885
US-20140227201-A1 Antimicrobial Gel Formulations CUTA, TUBA3C, POLR1C PSMB5 4412/4885PSMB8 3759/4885ANPEP 1998/4885
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections CFTR, NAT1, ELANE PSMB5 1720/4885PSMB8 2361/4885ANPEP 75/4885
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS CUTA, TUBA3C, POLR1C PSMB5 4412/4885PSMB8 3759/4885ANPEP 1998/4885
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them DAO, ASNS, DDC PSMB5 1224/4885PSMB8 1705/4885ANPEP 48/4885

“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.

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