SCHEMBL506430

SCHEMBL506430

Cc1ccc(S(=O)(=O)OCC[N+](C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ GAA P10253 2/20 0.43
▸ STAT3 P40763 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ G6PD P11413 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ VDR P11473 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
Hydrochloric Acid SCHEMBL28623706 0.98 CA12 (0.46) CA12CA1CA9GAASTAT3
SCHEMBL18954290 0.89 ALDH1A1 (0.43) CA12CA1CA9GAASTAT3
SCHEMBL18954191 0.88 ALDH1A1 (0.42) CA12CA1CA9GAASTAT3
SCHEMBL241884 0.86 CA1 (0.52) CA12CA1CA9GAASTAT3
SCHEMBL9118978 0.83 SCN1A (0.46) ALDH1A1
SCHEMBL483847 0.82 ALDH1A1 (0.50) CA12CA1CA9GAASTAT3
Water SCHEMBL7788572 0.82 CA1 (0.50) CA12CA1CA9GAASTAT3
Ethylene SCHEMBL4379131 0.82 CA1 (0.50) CA12CA1CA9GAASTAT3
SCHEMBL890725 0.82 ALDH1A1 (0.50) CA12CA1CA9GAASTAT3
Ethylene SCHEMBL3466431 0.82 CA1 (0.50) CA12CA1CA9GAASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636848-B Method for synthesizing phosphorylcholine compound by one-pot method 深圳翰宇药业股份有限公司 2024-11-29 — — CN claimed
US-11978622-B2 Aqueous and semi-aqueous cleaners for the removal of post-etch residues with tungsten and cobalt compatibility ENTEGRIS, INC. (US) 2024-05-07 — — US claimed
US-20230365602-A1 COMPOUND FOR USE IN THE TREATMENT OF PROTOZOAL DISEASES AND PROCESS FOR PRODUCTION OF SAID COMPOUND QUADREL S.R.L. (IT) 2023-11-16 — — US claimed
EP-4216960-A1 COMPOUND FOR USE IN THE TREATMENT OF PROTOZOAL DISEASES AND PROCESS FOR PRODUCTION OF SAID COMPOUND Quadrel S.r.l. (IT) 2023-08-02 — — EP claimed
CN-115636848-A Method for synthesizing phosphorylcholine compounds by one-pot method 深圳翰宇药业股份有限公司 2023-01-24 — — CN claimed
EP-4118079-A1 PHARMACEUTICAL COMPOSITIONS OF LIPOIC ACID CHOLINE ESTER SALTS AND METHODS OF TREATMENT USING SAME Novartis AG (CH) 2023-01-18 — — EP claimed
CN-115279745-A Pharmaceutical compositions of lipoic acid choline ester salts and methods of treatment using the same 诺华股份有限公司 2022-11-01 — — CN claimed
US-20220332978-A1 Low Dishing Copper Chemical Mechanical Planarization VERSUM MATERIALS US, LLC (US) 2022-10-20 — — US claimed
EP-4038155-A1 LOW DISHING COPPER CHEMICAL MECHANICAL PLANARIZATION Versum Materials US, LLC (US) 2022-08-10 — — EP claimed
CN-114466909-A Low-dishing copper chemical mechanical planarization 弗萨姆材料美国有限责任公司 2022-05-10 — — CN claimed
EP-2088865-B1 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS JINA PHARMACEUTICALS INC (US) 2015-10-21 — — EP claimed
WO-2015017659-A1 AQUEOUS FORMULATIONS FOR REMOVING METAL HARD MASK AND POST-ETCH RESIDUE WITH Cu/W COMPATIBILITY ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2015-02-05 — — WO claimed
US-20150027978-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY ETCHING TITANIUM NITRIDE ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2015-01-29 — — US claimed
WO-2014138064-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY ETCHING TITANIUM NITRIDE ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2014-09-12 — — WO claimed
US-7323601-B2 Enanitomers of unsaturated alkyllysophosphonocholines and use as anti-neoplastics RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2008-01-29 — — US claimed
EP-1387847-A4 ENANTIOMERS OF UNSATURATED ALKYLLYSOPHOSPHONOCHOLINES AND USE AS ANTI-NEOPLASTICS UNIV CITY (US) 2005-06-29 — — EP claimed
US-20050014971-A1 Enanitomers of unsaturated alkyllysophosphonocholines and use as anti-neoplastics UNIVERSITY OF MANITOBA, THE (CA) 2005-01-20 — — US claimed
EP-1387847-A2 ENANTIOMERS OF UNSATURATED ALKYLLYSOPHOSPHONOCHOLINES AND USE AS ANTI-NEOPLASTICS The Research Foundation Of the City university of New York (US) 2004-02-11 — — EP claimed
WO-2002067855-A2 ENANTIOMERS OF UNSATURATED ALKYLLYSOPHOSPHONOCHOLINES AND USE AS ANTI-NEOPLASTICS THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2002-09-06 — — WO claimed
WO-1995029923-A1 PROCESS FOR THE PREPARATION OF MONO- AND BIS(PHOSPHOCHOLINE) DERIVATIVES WHICH HAVE ANTIFUNGAL ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1995-11-09 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050014971-A1 Enanitomers of unsaturated alkyllysophosphonocholines and use as anti-neoplastics SGMS1, SGMS2, ENPP2 CA12 2271/4885CA1 3141/4885CA9 2622/4885
US-20230365602-A1 COMPOUND FOR USE IN THE TREATMENT OF PROTOZOAL DISEASES AND PROCESS FOR PRODUCTION OF SAID COMPOUND PIGO, PIGS, AGPS CA12 1934/4885CA1 1778/4885CA9 1552/4885

“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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