SCHEMBL4123954

SCHEMBL4123954

Nc1c(O)c(S(=O)(=O)O)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
MPL P40238 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
APP P05067 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
SNCA P37840 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 1/20 0.45
TTR P02766 1/20 0.44
SUMO2 P61956 3/20 0.44
SUMO1 P63165 3/20 0.44
SENP7 Q9BQF6 3/20 0.44

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
SCHEMBL5694580 0.86 CTRB1 (0.48) CYP2D6MPLALDH1A1MEN1THRB
SCHEMBL6051301 0.85 TTR (0.47) CYP2D6MPLALDH1A1MEN1THRB
SCHEMBL8979202 0.84 CYP2D6 (0.49) CYP2D6MPLALDH1A1MEN1THRB
SCHEMBL10033897 0.83 CYP2D6 (0.51) CYP2D6MPLALDH1A1MEN1THRB
SCHEMBL16817741 0.81 CASP6 (0.54) ALDH1A1MEN1THRBKMT2ATDP1
SCHEMBL3201539 0.81 CASP6 (0.54) ALDH1A1MEN1THRBKMT2ATDP1
SCHEMBL29475260 0.81 CASP6 (0.54) ALDH1A1MEN1THRBKMT2ATDP1
SCHEMBL16817740 0.80 CASP6 (0.53) ALDH1A1MEN1THRBKMT2ATDP1
SCHEMBL8100909 0.80 CASP6 (0.53) ALDH1A1MEN1THRBKMT2ATDP1
SCHEMBL3213538 0.80 CYP2D6 (0.66) CYP2D6MPLALDH1A1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501967-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2013-08-06 US disclosed
US-20120316350-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2012-12-13 US disclosed
US-8258338-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2012-09-04 US disclosed
CN-101124196-B Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG 2011-05-11 CN disclosed
US-20090156833-A1 Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols LONZA AG (CH) 2009-06-18 US disclosed
CN-101124196-A Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2008-02-13 CN disclosed
EP-1868983-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2007-12-26 EP disclosed
WO-2006087166-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2006-08-24 WO disclosed
US-20060166869-A1 Novel use of lipopeptide preparations UNIVERSITE DE LIEGE INTERFACE ENTREPRISES-UNIVERSITE (BE) 2006-07-27 US disclosed
EP-1528929-A1 NOVEL USE OF LIPOPEPTIDE PREPARATIONS Faculté Universitaire des Sciences Agronomiques de Gembloux (BE) 2005-05-11 EP disclosed
WO-2004002510-A1 NOVEL USE OF LIPOPEPTIDE PREPARATIONS FACULTE UNIVERSITAIRE DES SCIENCES AGRONOMIQUES DE GEMBLOUX (BE) 2004-01-08 WO disclosed
US-20030203008-A1 Preparation of collagen GUNASEKARAN SUBRAMANIAN (US) 2003-10-30 US disclosed
US-20030183575-A1 METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES ECOLAB USA INC. 2003-10-02 US disclosed
US-6548077-B1 Using proteolytic enzyme and reducing agent; wound healing agent GUNASEKARAN SUBRAMANIAN (US) 2003-04-15 US disclosed
US-6127143-A PRODUCING CONNECTIVE TISSUE PROTEINS; MIXING CONNECTIVE TISSUE PROTEIN AND PROTEOLYTIC ENZYME, INCUBATE WITH REDUCING AGENT, INCUBATE WITH SECOND PROTEOLYTIC ENZYME, INCUBATE WITH SOLUBLE AGENT, RECOVER CONNECTIVE TISSUE PROTEIN GUNASEKARAN SUBRAMANIAN (US) 2000-10-03 US disclosed
US-5814328-A DELIPIDATION; COMPRESSION, DEHYDRATION, DISPERSION, DRYING; PHOSPHORYLATION GUNASEKARAN SUBRAMANIAN (US) 1998-09-29 US disclosed
US-4777246-A 1-diazo-2-naphthol-4-sulfonic acid by iron-catalyzed diazotization CIBA-GEIGY CORPORATION (US) 1988-10-11 US disclosed
EP-0198800-B1 PROCESS FOR THE PRODUCTION OF 1-DIAZO-2-NAPHTHOL-4-SULPHONIC ACID CIBA-GEIGY AG (CH) 1988-08-24 EP disclosed
EP-0198800-A1 Process for the production of 1-diazo-2-naphthol-4-sulphonic acid CIBA-GEIGY AG (CH) 1986-10-22 EP disclosed
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 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-20120316350-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS CYP2S1, AKR1C3, AKR1B10 CYP2D6 200/4885MPL 4793/4885ALDH1A1 99/4885
US-20090156833-A1 Process for the Preparation of Enantiomerically Pure 1-Substituted-3-Aminoalcohols CYP2S1, AKR1C3, ADSL CYP2D6 342/4885MPL 4631/4885ALDH1A1 122/4885
US-20060166869-A1 Novel use of lipopeptide preparations LPXN, NGLY1, HASPIN CYP2D6 4764/4885MPL 2128/4885ALDH1A1 4881/4885

“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.