SCHEMBL358581

SCHEMBL358581

Cc1ccccc1[S+](N)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ACHE P22303 2/20 0.43
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CD44 P16070 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA7 P43166 2/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 2/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL2890886 1.00 TSHR (0.43) TSHRACHECYP3A4TDP1CD44
Methyl Alcohol SCHEMBL28179894 0.95 ACHE (0.39) TSHRACHECYP3A4TDP1CD44
SCHEMBL29468607 0.79 TSHR (0.47) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL235850 0.79 TSHR (0.47) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL8999536 0.77 TSHR (0.45) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL29726981 0.77 TSHR (0.45) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL1642155 0.77 TSHR (0.45) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL6508099 0.77 TSHR (0.45) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL8666802 0.75 TSHR (0.43) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL20774081 0.75 TSHR (0.43) TSHRACHECYP3A4TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107311887-B A kind of method of visible identification chiral sulfenamide 中国科学院化学研究所 2019-02-26 CN claimed
CN-108558714-A A kind of chirality optical voidness is to the preparation method of toluenesulfinamide 上海晋鲁医药科技有限公司 2018-09-21 CN claimed
CN-108484455-A A kind of method of synthesis of chiral optical voidness to toluenesulfinamide 上海晋鲁医药科技有限公司 2018-09-04 CN claimed
CN-108440349-A A kind of chirality optical voidness is to the preparation method of toluenesulfinamide 上海晋鲁医药科技有限公司 2018-08-24 CN claimed
CN-107311887-A A kind of method of visible identification chiral sulfenamide 中国科学院化学研究所 2017-11-03 CN claimed
EP-1756085-B1 DIASTEREOSELECTIVE SYNTHESIS PROCESS WITH 6-BROMO-4-(3-CHLOROPHENYL)-2-METHOXY-QUINOLINE JANSSEN PHARMACEUTICA NV (BE) 2010-06-16 EP claimed
US-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-01 US claimed
EP-1756085-A1 DIASTEREOSELECTIVE SYNTHESIS PROCESS WITH 6-BROMO-4-(3-CHLOROPHENYL)-2-METHOXY-QUINOLINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-28 EP claimed
EP-1608638-A1 FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF Wyeth (US) 2005-12-28 EP claimed
WO-2005105783-A1 DIASTEREOSELECTIVE SYNTHESIS PROCESS WITH 6-BROMO-4-(3-CHLOROPHENYL)-2-METHOXY-QUINOLINE JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 WO claimed
WO-2004092155-A1 FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF WYETH (US) 2004-10-28 WO claimed
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH 2004-10-07 US claimed
WO-2023239822-A1 CO-AGENTS AS THERAPY AGAINST ANAEROBIC PATHOGENS FLEURIR ABX LLC (US) 2023-12-14 WO disclosed
EP-3856341-A1 CRYSTALLINE FORMS OF (S)-1-(4-FLUOROPHENYL)-1-(2-(4-(6-(1-METHYL-1H-PYRAZOL-4-YL)PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)PIPERAZINYL)-PYRIMIDIN-5-YL)ETHAN-1-AMINE AND METHODS OF MAKING Blueprint Medicines Corporation (US) 2021-08-04 EP disclosed
WO-2020210669-A1 CRYSTALLINE FORMS OF (S)-1-(4-FLUOROPHENYL)-1-(2-(4-(6-(1-METHYL-1H-PYRAZOL-4-YL)PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)PIPERAZINYL)-PYRIMIDIN-5-YL)ETHAN-1-AMINE AND METHODS OF MAKING BLUEPRINT MEDICINES CORPORATION (US) 2020-10-15 WO disclosed
CN-109776383-A A kind of preparation method of 3- indoles aryl sulfoxid es class compound 哈尔滨工业大学(威海) 2019-05-21 CN disclosed
WO-2004092155-A1 FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF WYETH (US) 2004-10-28 WO disclosed
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH 2004-10-07 US disclosed
WO-2004026814-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed
WO-2003091207-A2 METHOD OF PREPARING AMINE STEREOISOMERS APSINTERM, LLC. (US) 2003-11-06 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 (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-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof SCN8A, CHD8, CHRNA7 TSHR 202/4885ACHE 806/4885CYP3A4 2849/4885
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof BACE1, APP, PSEN1 TSHR 835/4885ACHE 501/4885CYP3A4 2376/4885

“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.