SCHEMBL1805940

SCHEMBL1805940

NCCc1ccccc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.50
HTR2A P28223 1/20 0.42
MYC P01106 1/20 0.42
SLC6A2 P23975 1/20 0.41
HMGB1 P09429 1/20 0.41
HTR6 P50406 5/20 0.40
TTR P02766 1/20 0.40
HRH1 P35367 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
CYP1A2 P05177 1/20 0.37

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
Fluoride SCHEMBL27730424 0.98 TAAR1 (0.48) TAAR1HTR2AMYCSLC6A2HMGB1
SCHEMBL1806284 0.89 MYC (0.40) TAAR1MYCHTR6TTRCYP1A2
SCHEMBL4202392 0.87 MYC (0.47) MYCTTRCYP1A2
SCHEMBL30446463 0.87 MYC (0.47) MYCTTRCYP1A2
SCHEMBL1806872 0.87 MAOA (0.42) TAAR1MYCTTRHRH1CYP1A2
SCHEMBL8954151 0.87 MYC (0.39) TAAR1MYCHTR6TTRCYP1A2
SCHEMBL28841517 0.87 MYC (0.39) TAAR1MYCHTR6TTRCYP1A2
SCHEMBL6295462 0.85 CYP3A4 (0.43) TAAR1MYCTTRHRH1CYP1A2
SCHEMBL16713743 0.85 CYP3A4 (0.43) TAAR1MYCTTRHRH1CYP1A2
SCHEMBL15578539 0.85 CYP3A4 (0.43) TAAR1MYCTTRHRH1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001313-A MANUFACTURE OF AROMATIC AMINO COMPOUNDS OSAKA CITY (JA) 1977-01-04 US claimed
EP-1773916-B1 PROCESS FOR PREPARATION OF FUNCTIONALIZED POLYIMIDES SABIC INNOVATIVE PLASTICS IP (NL) 2014-02-12 EP disclosed
EP-2418256-B1 Acid dyes CLARIANT FINANCE BV LTD (VG) 2013-03-27 EP disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
EP-2418256-A1 Acid dyes Clariant International Ltd. (CH) 2012-02-15 EP disclosed
US-8034787-B2 Enzyme-cleavable prodrug compounds MEDAREX, INC. (US) 2011-10-11 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
EP-2261253-A2 Antibodies directed to Clostridium difficile NEUTEC PHARMA PLC (GB) 2010-12-15 EP disclosed
US-7816317-B2 Tripeptide prodrug compounds MEDAREX, INC. (US) 2010-10-19 US disclosed
EP-1613655-B1 CLOSTRIDIUM DIFFICILE FOCUSSED ANTIBODIES NEUTEC PHARMA PLC (GB) 2010-08-11 EP disclosed
EP-1294405-A2 PRODRUG COMPOUNDS CLEAVABLE BY THIMET OLIGOPEPTIDASE CORIXA CORPORATION (US) 2003-03-26 EP disclosed
US-20020142955-A1 Enzyme-cleavable prodrug compounds E. R. SQUIBB & SONS, L.L.C. 2002-10-03 US disclosed
WO-2002076939-A2 CYSTEINE PROTEASE INHIBITORS EXEGENICS INC. (US) 2002-10-03 WO disclosed
WO-2002000263-A2 TRIPEPTIDE PRODRUG COMPOUNDS MEDAREX, INC. (US) 2002-01-03 WO disclosed
WO-2001095945-A2 PRODRUG COMPOUNDS CLEAVABLE BY THIMET OLIGOPEPTIDASE MEDAREX, INC. (US) 2001-12-20 WO disclosed
EP-1144011-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Coulter Pharmaceutical, Inc. (US) 2001-10-17 EP disclosed
WO-2000033888-A9 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARM INC (US) 2001-05-10 WO disclosed
WO-2000033888-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARMACEUTICAL, INC. (US) 2000-06-15 WO disclosed
US-5817877-A Metal-catalyzed amination of organic sulfonates to organic amines YALE UNIVERSITY (US) 1998-10-06 US disclosed
US-4001313-A MANUFACTURE OF AROMATIC AMINO COMPOUNDS OSAKA CITY (JA) 1977-01-04 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 (1 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 TAAR1 1933/4885HTR2A 3632/4885MYC 3750/4885

“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.