SCHEMBL1156731

SCHEMBL1156731

O=S(=O)(Cl)c1scc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPRT1 P00492 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 2/20 0.32
THRB P10828 2/20 0.32
HPGD P15428 2/20 0.32
CYP2A6 P11509 3/20 0.32
TSHR P16473 1/20 0.32
KEAP1 Q14145 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ERN1 O75460 1/20 0.31
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CNR2 P34972 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL7416278 0.98 PAX8 (0.36) PAX8ALDH1A1HSD17B10TDP1HPRT1
SCHEMBL4423326 0.82 CA2 (0.48) CA1CA2CA9
SCHEMBL309805 0.80 TSHR (0.37) ALDH1A1HSD17B10TDP1CA1CA2
SCHEMBL3529179 0.67 CYP2A6 (0.42) PAX8ALDH1A1HSD17B10TDP1HPRT1
SCHEMBL276253 0.67 ALDH1A1 (0.39) PAX8ALDH1A1HSD17B10TDP1HPRT1
SCHEMBL13261664 0.66 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1HPRT1CYP1A2
SCHEMBL1097973 0.64 CYP2A6 (0.41) ALDH1A1HSD17B10TDP1HPRT1CYP1A2
SCHEMBL2008188 0.64 CYP2A6 (0.41) ALDH1A1HSD17B10TDP1HPRT1CYP1A2
Naphthalene SCHEMBL260764 0.64 CYP2A6 (0.57) PAX8ALDH1A1HSD17B10TDP1CA1
SCHEMBL2339685 0.64 CNR2 (0.38) PAX8ALDH1A1HSD17B10TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 EP disclosed
US-20140343070-A1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-20 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
EP-1973872-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF Methylgene, Inc. (CA) 2008-10-01 EP disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP disclosed
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 EP disclosed
US-6541661-B1 For treating cell proliferative diseases and conditions METHYLGENE, INC. (CA) 2003-04-01 US disclosed
EP-1233958-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2002-08-28 EP disclosed
WO-2001038322-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-05-31 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-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PAX8 3823/4885ALDH1A1 2529/4885HSD17B10 730/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PAX8 3030/4885ALDH1A1 2593/4885HSD17B10 1236/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 PAX8 1631/4885ALDH1A1 1764/4885HSD17B10 1675/4885
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 PAX8 3838/4885ALDH1A1 521/4885HSD17B10 461/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 PAX8 3838/4885ALDH1A1 521/4885HSD17B10 461/4885

“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.