SCHEMBL212547

SCHEMBL212547

CC(=O)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL27781055 0.86 SMN1; SMN2 (0.57) ALDH1A1LMNASMN1; SMN2GAAHSD17B10
SCHEMBL28004 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL29453108 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL4638087 0.84 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HSD17B10KMT2A
SCHEMBL11585746 0.82 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HSD17B10KMT2A
SCHEMBL533063 0.82 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HSD17B10KMT2A
SCHEMBL4093243 0.82 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL3347957 0.82 CA2 (0.63) ALDH1A1LMNASMN1; SMN2KMT2APOLB
Hydrochloric Acid SCHEMBL35358 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL1397448 0.82 GAA (0.55) ALDH1A1LMNASMN1; SMN2GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
WO-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed
WO-2019148850-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-01-17 US disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed
US-20080214578-A1 Novel 5-Substituted 7-Amino-[1,3]Thiazolo[4,5-D]Pyrimidine Derivatives 793 ACTURUM REAL ESTATE AB (SE) 2008-09-04 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-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
EP-1869055-A1 NOVEL 5,7-DISUBSTITUTED Ý1,3¨THIAZOLOÝ4,5-D¨PYRIMIDIN-2(3H)-ONE DERIVATIVES AstraZeneca AB (SE) 2007-12-26 EP disclosed
EP-1869056-A1 NOVEL 5-SUBSTITUTED 7-AMINO-Ý1,3¨THIAZOLOÝ4,5-D¨PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2007-12-26 EP disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP disclosed
WO-2006107257-A1 NOVEL 5,7-DISUBSTITUTED [1,3]THIAZOLO[4,5-D]PYRIMIDIN-2(3H)-ONE DERIVATIVES ASTRAZENECA AB (SE) 2006-10-12 WO disclosed
WO-2006107258-A1 NOVEL 5-SUBSTITUTED 7-AMINO-[1,3]THIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-10-12 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 (8 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A ALDH1A1 1650/4885LMNA 3758/4885SMN1; SMN2 3936/4885
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 ALDH1A1 2038/4885LMNA 2166/4885SMN1; SMN2 4568/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ALDH1A1 2593/4885LMNA 3457/4885SMN1; SMN2 4075/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 ALDH1A1 2038/4885LMNA 2166/4885SMN1; SMN2 4568/4885
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 ALDH1A1 1764/4885LMNA 4165/4885SMN1; SMN2 2491/4885
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 ALDH1A1 79/4885LMNA 4664/4885SMN1; SMN2 4066/4885
US-20080214578-A1 Novel 5-Substituted 7-Amino-[1,3]Thiazolo[4,5-D]Pyrimidine Derivatives 793 CX3CR1, CCR2, CXCR3 ALDH1A1 1833/4885LMNA 4330/4885SMN1; SMN2 1516/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 ALDH1A1 79/4885LMNA 4664/4885SMN1; SMN2 4066/4885

“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.