SCHEMBL1666836

SCHEMBL1666836

CC(C)C[C@H](NCl)C(=O)OBOC(=O)[C@H](CC(C)C)NCl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.37
TAS1R1 Q7RTX1 5/20 0.37
ALDH1A1 P00352 2/20 0.37
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
CYP2C9 P11712 1/20 0.34
NPR3 P17342 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSK P43235 2/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL8299773 0.82 TAS1R3 (0.51) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL12666830 0.82 TAS1R3 (0.51) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL13071694 0.82 TAS1R3 (0.51) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL10210577 0.76 NPSR1 (0.50) ALDH1A1MEN1KMT2ACYP2C9NPR3
SCHEMBL12627973 0.76 NPSR1 (0.50) ALDH1A1MEN1KMT2ACYP2C9NPR3
SCHEMBL1992438 0.76 TAS1R3 (0.36) TAS1R3TAS1R1ALDH1A1NOS3NOS1
SCHEMBL17278282 0.74 SMN1; SMN2 (0.38) TAS1R3TAS1R1ALDH1A1NOS3NOS1
SCHEMBL3377857 0.73 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AGRN
SCHEMBL468410 0.73 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AGRN
SCHEMBL3377860 0.73 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AGRN

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 22 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
WO-2010124237-A1 METHODS OF TREATING INFECTIONS OF THE NAIL NOVABAY PHARMACEUTICALS INC. (US) 2010-10-28 WO claimed
US-20100272783-A1 Methods of Treating Infections of the Nail NOVABAY PHARMACEUTICALS, INC. 2010-10-28 US 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-2010124237-A1 METHODS OF TREATING INFECTIONS OF THE NAIL NOVABAY PHARMACEUTICALS INC. (US) 2010-10-28 WO disclosed
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. 2010-03-25 US 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
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

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 TAS1R3 2506/4885TAS1R1 3084/4885ALDH1A1 1683/4885
US-20140227201-A1 Antimicrobial Gel Formulations CUTA, TUBA3C, POLR1C TAS1R3 2712/4885TAS1R1 3280/4885ALDH1A1 1488/4885
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections CFTR, NAT1, ELANE TAS1R3 3301/4885TAS1R1 3505/4885ALDH1A1 1852/4885
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS CUTA, TUBA3C, POLR1C TAS1R3 2712/4885TAS1R1 3280/4885ALDH1A1 1488/4885
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them DAO, ASNS, DDC TAS1R3 2831/4885TAS1R1 3228/4885ALDH1A1 4276/4885

“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.