SCHEMBL197101

SCHEMBL197101

CC(C)(NCl)C(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.33
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL26431999 0.74 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL3378298 0.72 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL85493 0.71 TSHR (0.57) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL11675279 0.71
Ammonia Solution, Strong SCHEMBL28635066 0.68 TSHR (0.53) TSHRALDH1A1TP53CYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL28635068 0.68 TSHR (0.53) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL28528092 0.67 TSHR (0.47) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL14573217 0.65 TSHR (0.50) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL301639 0.65 TSHR (0.50) TSHRALDH1A1TP53CYP2D6CYP2C19
SCHEMBL10897817 0.65 THRB (0.43) TSHRALDH1A1TP53CYP2D6CYP2C19

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 36 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-20120282351-A1 System and Method for The Prevention of Bacterial and Fungal Infections Including Urinary Tract Infections (UTI) Using N-Halogenated Amino Acids NOVABAY PHARMACEUTICALS, INC. 2012-11-08 US claimed
JP-2012500209-A 2012-01-05 JP claimed
CN-102176818-A Antimicrobial gel formulations NOVABAY PHARMACEUTICALS INC 2011-09-07 CN 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-2312939-A1 ANTIMICROBIAL GEL FORMULATIONS NovaBay Pharmaceuticals, Inc. (US) 2011-04-27 EP 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
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. 2010-03-25 US claimed
WO-2010019723-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-02-18 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO 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
JP-2009511493-A 2009-03-19 JP claimed
EP-1948154-A1 SYSTEM AND METHOD FOR THE PREVENTION OF BACTERIAL AND FUNGAL INFECTIONS INCLUDING URINARY TRACT INFECTIONS (UTI) USING N-HALOGENATED AMINO ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-07-30 EP 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
CN-101132785-A N-halogenated amino acids and N, N-dihalogenated amino acids in combination with hypohalous acids NOVABAY PHARMACEUTICALS INC (US) 2008-02-27 CN claimed
US-20070244449-A1 System and method for the prevention of bacterial and fungal infections including Urinary Tract Infections (UTI) using N-halogenated amino acids NOVACAL PHARMACEUTICALS, INC. 2007-10-18 US claimed
WO-2007044559-A1 SYSTEM AND METHOD FOR THE PREVENTION OF BACTERIAL AND FUNGAL INFECTIONS INCLUDING URINARY TRACT INFECTIONS (UTI) USING N-HALOGENATED AMINO ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2007-04-19 WO claimed
CN-1902158-A N,N-dihalogenated amino acids and derivatives NOVACAL PHARMACEUTICALS INC (US) 2007-01-24 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 TSHR 2015/4885ALDH1A1 1683/4885TP53 1117/4885
US-20140227201-A1 Antimicrobial Gel Formulations CUTA, TUBA3C, POLR1C TSHR 4545/4885ALDH1A1 1488/4885TP53 1647/4885
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections CFTR, NAT1, ELANE TSHR 1500/4885ALDH1A1 1852/4885TP53 3000/4885
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS CUTA, TUBA3C, POLR1C TSHR 4545/4885ALDH1A1 1488/4885TP53 1647/4885

“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.