SCHEMBL2767017

SCHEMBL2767017

O=S(=O)(Cc1ccccc1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
AKR1B1 P15121 1/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
FAAH O00519 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
PRSS3 P35030 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45

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
SCHEMBL1017613 0.85 HSD17B10 (0.58) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL30565841 0.82 PLCG1 (0.52) ALDH1A1LMNAHTTL3MBTL1MEN1
SCHEMBL9845538 0.80 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL10728701 0.80 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL27595261 0.79 MAOA (0.47) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL8993328 0.78 NFE2L2 (0.49) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL4685419 0.78 NFE2L2 (0.49) LMNAHTTNPC1RAB9AKEAP1
SCHEMBL30333699 0.78 NFE2L2 (0.49) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL28152198 0.78 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL1015140 0.77 PKM (0.55) ALDH1A1MAPTHPGDHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710467-A Photooxidation reduction protein modification 罗莎琳德·富兰克林研究所 2023-09-05 CN disclosed
CN-106831551-B A kind of method that ionic liquid method synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-09-24 CN disclosed
CN-106748988-B A kind of method that supercritical ultrasonics technology synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-05-28 CN disclosed
CN-106866515-B A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2019-05-28 CN disclosed
CN-106866514-B A kind of method that Aqueous phase synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-05-28 CN disclosed
CN-106518757-B A kind of method that microwave method synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-03-19 CN disclosed
US-10173993-B2 Process for the synthesis of sulfones and sulfonamides COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-01-08 US disclosed
CN-106866515-A A kind of sulfonyl pyridine derivative and its synthetic method 山东师范大学 2017-06-20 CN disclosed
CN-106866514-A A kind of method of the Aqueous phase synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate 山东师范大学 2017-06-20 CN disclosed
US-20170166542-A1 Process for the Synthesis of Sulfones and Sulfonamides COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-06-15 US disclosed
EP-1551797-A1 CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
EP-1551799-A1 CYCLOHEXYL SULPHONES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
US-6890956-B2 Cyclohexyl sulphones as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2005-05-10 US disclosed
US-20040122050-A1 Cyclohexyl sulphone derivatives as gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2004-06-24 US disclosed
US-20040121995-A1 Cyclohexyl sulphones as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-06-24 US disclosed
WO-2004031137-A1 CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
WO-2004031139-A1 CYCLOHEXYL SULPHONES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
US-4456470-A Herbicidal 2-(alpha-chloromethylsulfonyl) pyridine-1-oxides UNIROYAL, INC. (US) 1984-06-26 US disclosed
EP-0103660-A1 Pyridine-1-oxides, herbicidal compositions thereof and herbicidal methods for applying the compounds UNIROYAL, INC. (US) 1984-03-28 EP disclosed
US-4360677-A Herbicidal 2-(alpha-chloromethylsulfonyl) pyridine-1-oxides UNIROYAL, INC. (US) 1982-11-23 US 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 (4 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-20170166542-A1 Process for the Synthesis of Sulfones and Sulfonamides STS, SULT2A1, TST ALDH1A1 2456/4885MAPT 4101/4885LMNA 4315/4885
US-20040122050-A1 Cyclohexyl sulphone derivatives as gamma-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1283/4885MAPT 229/4885LMNA 1703/4885
US-10173993-B2 Process for the synthesis of sulfones and sulfonamides STS, SULT2A1, TST ALDH1A1 2456/4885MAPT 4101/4885LMNA 4315/4885
US-20040121995-A1 Cyclohexyl sulphones as gamma-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1531/4885MAPT 164/4885LMNA 1696/4885

“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.