SCHEMBL2730688

SCHEMBL2730688

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12.[Na]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.68
▸ ALDH1A1 P00352 5/20 0.56
▸ CASP6 P55212 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ SUMO2 P61956 1/20 0.51
▸ SUMO1 P63165 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP2 Q9HC62 1/20 0.51
▸ CYP1A2 P05177 2/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ENPP2 Q13822 3/20 0.43
▸ NSD2 O96028 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29610078 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL152377 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL31229304 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL30566330 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL591403 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL29429619 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL11426413 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
Hydrochloric Acid SCHEMBL8219485 0.98 NT5E (0.66) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL2730683 0.98 NT5E (0.66) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL11426409 0.98 NT5E (0.66) NT5EALDH1A1CASP6HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3737753-B1 USE OF TRI- AND TETRA-HYDROXYL QUATERNARY AMMONIUM COMPOUNDS AS RESOLVING AGENTS FOR ELECTROPHORESITIC SEPARATIONS AGILENT TECHNOLOGIES INC (US) 2025-10-22 — — EP disclosed
EP-3684941-B1 USE OF POLYAMINES AS RESOLVING AGENTS FOR CAPILLARY ELECTROPHORESIS OF LABELED GLYCANS USING GELS AGILENT TECHNOLOGIES INC (US) 2025-05-14 — — EP disclosed
CN-111566210-B Use of tri-and tetra-hydroxy quaternary ammonium compounds as resolving agents for electrophoretic separation 安捷伦科技有限公司 2025-01-07 — — CN disclosed
CN-111108209-B Use of polyamines as separating agents in gel-based capillary electrophoresis with labeled glycans 安捷伦科技有限公司 2024-09-20 — — CN disclosed
US-11988633-B2 Use of polyamines as resolving agents for capillary electrophoresis of labeled glycans using gels AGILENT TECHNOLOGIES, INC. (US) 2024-05-21 — — US disclosed
US-11815488-B2 Use of tri- and tetra-hydroxyl quaternary ammonium compounds as resolving agents for electrophoretic separations AGILENT TECHNOLOGIES, INC. (US) 2023-11-14 — — US disclosed
US-20210063347-A1 USE OF POLYAMINES AS RESOLVING AGENTS FOR CAPILLARY ELECTROPHORESIS OF LABELED GLYCANS USING GELS AGILENT TECHNOLOGIES, INC. (US) 2021-03-04 — — US disclosed
US-20200371063-A1 Use of Tri- and Tetra- Hydroxyl Quaternary Ammonium Compounds As Resolving Agents for Electrophoretic Separations AGILENT TECHNOLOGIES, INC. (US) 2020-11-26 — — US disclosed
EP-3737753-A1 USE OF TRI- AND TETRA-HYDROXYL QUATERNARY AMMONIUM COMPOUNDS AS RESOLVING AGENTS FOR ELECTROPHORESITIC SEPARATIONS Agilent Technologies, Inc. (US) 2020-11-18 — — EP disclosed
CN-111566210-A Use of trihydroxy and tetrahydroxy quaternary ammonium compounds as resolving agents for electrophoretic separations 安捷伦科技有限公司 2020-08-21 — — CN disclosed
EP-3684941-A2 USE OF POLYAMINES AS RESOLVING AGENTS FOR CAPILLARY ELECTROPHORESIS OF LABELED GLYCANS USING GELS Prozyme, Inc. (US) 2020-07-29 — — EP disclosed
CN-111108209-A Use of polyamines as separating agents in gel-based capillary electrophoresis with labeled glycans 安捷伦科技有限公司 2020-05-05 — — CN disclosed
WO-2019060633-A2 USE OF POLYAMINES AS RESOLVING AGENTS FOR CAPILLARY ELECTROPHORESIS OF LABELED GLYCANS USING GELS PROZYME, INC. (US) 2019-03-28 — — WO disclosed
US-8796323-B2 Defensin-like molecules as novel antimicrobial agents UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-08-05 — — US disclosed
US-20130231376-A1 DEFENSIN-LIKE MOLECULES AS NOVEL ANTIMICROBIAL AGENTS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-09-05 — — US disclosed
WO-2012061767-A2 DEFENSIN-LIKE MOLECULES AS NOVEL ANTIMICROBIAL AGENTS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-05-10 — — 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-20130231376-A1 DEFENSIN-LIKE MOLECULES AS NOVEL ANTIMICROBIAL AGENTS DBNL, DNASE1L3, STING1 NT5E 452/4885ALDH1A1 2828/4885CASP6 1573/4885

“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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