SCHEMBL3194487

SCHEMBL3194487

COc1ccc2c(ccc[n+]2CCCS(=O)(=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.54
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ EIF4H Q15056 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ BCHE P06276 7/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL146423 0.88 ACHE (0.54) ACHEHPGDBCHE
Water SCHEMBL436371 0.86 ACHE (0.53) ACHEHPGDBCHE
Ammonia Solution, Strong SCHEMBL30096047 0.86 ACHE (0.53) ACHEHPGDBCHE
Ammonia Solution, Strong SCHEMBL28899074 0.86 ACHE (0.53) ACHEHPGDBCHE
SCHEMBL17187153 0.84 ACHE (0.53) ACHEBCHE
SCHEMBL7044948 0.81 ACHE (0.50) ACHEHPGDBCHEMEN1KMT2A
SCHEMBL30914704 0.80 ACHE (0.60) ACHEBCHE
Hydrochloric Acid SCHEMBL7566412 0.78 ACHE (0.58) ACHEBCHE
Bromide SCHEMBL29389671 0.78 KDM4E (0.61) ACHEKDM4EALDH1A1HPGDGAA
Iodide SCHEMBL17187192 0.78 KDM4E (0.65) ACHEKDM4EALDH1A1HPGDGAA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887519-B1 METHODS OF DETERMINING PH AND CALCIUM OR CHLORIDE CONCENTRATION IN SAMPLES UNIV CHICAGO (US) 2025-11-05 — — EP disclosed
US-12436156-B2 Methods of determining pH and calcium or chloride concentration in samples THE UNIVERSITY OF CHICAGO (US) 2025-10-07 — — US disclosed
US-20220011325-A1 Methods of Determining pH and Calcium or Chloride Concentration in Samples NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-13 — — US disclosed
EP-3887519-A1 METHODS OF DETERMINING PH AND CALCIUM OR CHLORIDE CONCENTRATION IN SAMPLES The University of Chicago (US) 2021-10-06 — — EP disclosed
EP-3283236-B1 METHOD FOR GRAFTING A COLOURED INDICATOR ONTO A SOLID SUBSTRATE AND IMPLEMENTATION KIT COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-09-16 — — EP disclosed
US-10712284-B2 Method for grafting a coloured indicator onto a solid substrate and implementation kit Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2020-07-14 — — US disclosed
WO-2020117701-A1 METHODS OF DETERMINING PH AND CALCIUM OR CHLORIDE CONCENTRATION IN SAMPLES THE UNIVERSITY OF CHICAGO (US) 2020-06-11 — — WO disclosed
US-20180120234-A1 METHOD FOR GRAFTING A COLOURED INDICATOR ONTO A SOLID SUBSTRATE AND IMPLEMENTATION KIT Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2018-05-03 — — US disclosed
EP-3283236-A1 METHOD FOR GRAFTING A COLOURED INDICATOR ONTO A SOLID SUBSTRATE AND IMPLEMENTATION KIT Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2018-02-21 — — EP disclosed
US-9518928-B2 Optode for determining chemical parameters UNIVERSITAET POTSDAM (DE) 2016-12-13 — — US disclosed
WO-2016166108-A1 METHOD FOR GRAFTING A COLOURED INDICATOR ONTO A SOLID SUBSTRATE AND IMPLEMENTATION KIT Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2016-10-20 — — WO disclosed
EP-2805151-B1 OPTODE FOR DETERMINING CHEMICAL PARAMETERS UNIVERSITÄT POTSDAM (DE) 2016-04-06 — — EP disclosed
US-20150011010-A1 OPTODE FOR DETERMINING CHEMICAL PARAMETERS UNIVERSITAET POTSDAM (DE) 2015-01-08 — — US disclosed
EP-2805151-A1 OPTODE FOR DETERMINING CHEMICAL PARAMETERS Universität Potsdam (DE) 2014-11-26 — — EP disclosed
WO-2013107895-A1 OPTODE FOR DETERMINING CHEMICAL PARAMETERS UNIVERSITÄT POTSDAM (DE) 2013-07-25 — — WO disclosed
US-20100035867-A1 Inhibitors of Cyclic Nucleotide Synthesis and Their Use for Therapy of Various Diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-02-11 — — US disclosed
WO-2008008704-A2 INHIBITORS OF CYCLIC NUCLEOTIDE SYNTHESIS AND THEIR USE FOR THERAPY OF VARIOUS DISEASES UNIVERSITY OF TEXAS HEALTH SCIENCE CENTER (US) 2008-01-17 — — WO disclosed
US-6063913-A MODIFICATION OF REPEAT SEQUENCE IN EXON 6 OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR GENE WITHOUT MODIFYING THE ENCODED AMINO ACIDS FACILITATES EXPRESSION OF PROTEIN IN BACTERIA HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2000-05-16 — — US disclosed
US-5863770-A IN VITRO PRODUCTION OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN BY EXPRESSING VARIANT GENE SEQUENCE HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 1999-01-26 — — US disclosed
WO-1992005252-A1 STABLE PROPAGATION OF MODIFIED FULL LENGTH CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN cDNA IN HETEROLOGOUS SYSTEMS HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 1992-04-02 — — 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 (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-20100035867-A1 Inhibitors of Cyclic Nucleotide Synthesis and Their Use for Therapy of Various Diseases ADCY9, ADCY3, ADCY4 ACHE 736/4885KDM4E 3083/4885ALDH1A1 4137/4885

“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.

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