SCHEMBL7122701

SCHEMBL7122701

CC1CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.59
HSD11B1 P28845 2/20 0.57
ALDH1A1 P00352 2/20 0.56
PARL Q9H300 1/20 0.54
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47

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
SCHEMBL14738049 1.00 ACHE (0.65) ACHEL3MBTL1HSD11B1ALDH1A1PARL
SCHEMBL31173382 0.92 ACHE (0.56) ACHEL3MBTL1HSD11B1ALDH1A1PARL
SCHEMBL16802348 0.83 ACHE (0.69) ACHEHSD11B1HTTRECQLSMN1; SMN2
SCHEMBL30695870 0.81 ACHE (0.52) ACHEL3MBTL1HSD11B1ALDH1A1PARL
SCHEMBL22308528 0.81 ACHE (0.51) ACHEL3MBTL1HSD11B1ALDH1A1PARL
SCHEMBL28453189 0.81 ACHE (0.51) ACHEL3MBTL1HSD11B1ALDH1A1PARL
SCHEMBL17758627 0.80 ACHE (0.51) ACHEL3MBTL1HSD11B1ALDH1A1PARL
SCHEMBL17749075 0.80 ACHE (0.51) ACHEL3MBTL1HSD11B1ALDH1A1PARL
SCHEMBL6417230 0.79 PARL (0.57) ACHEHSD11B1ALDH1A1PARLHTT
SCHEMBL6346703 0.78 L3MBTL1 (0.67) ACHEL3MBTL1ALDH1A1HTTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111675806-B Air atmosphere anion ring-opening polymerization method of N-sulfonyl aziridine derivative 上海交通大学 2022-01-11 CN claimed
CN-108586738-B Synthesis method of linear polyethyleneimine segmented copolymer 南京工业大学 2020-10-27 CN claimed
CN-111675806-A Air atmosphere anion ring-opening polymerization method of N-sulfonyl aziridine derivative 上海交通大学 2020-09-18 CN claimed
EP-4692057-A1 NOVEL B0AT1 INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2026-02-11 EP disclosed
US-20260001849-A1 NOVEL B0AT1 INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-01-01 US disclosed
CN-118834153-A 5-Substituted indoline chiral amine, preparation method thereof and application thereof in preparation of silodosin 浙江大学 2024-10-25 CN disclosed
WO-2024210198-A1 NOVEL B0AT1 INHIBITOR 田辺三菱製薬株式会社 2024-10-10 WO disclosed
CN-111675806-B Air atmosphere anion ring-opening polymerization method of N-sulfonyl aziridine derivative 上海交通大学 2022-01-11 CN disclosed
CN-108586738-B Synthesis method of linear polyethyleneimine segmented copolymer 南京工业大学 2020-10-27 CN disclosed
CN-111675806-A Air atmosphere anion ring-opening polymerization method of N-sulfonyl aziridine derivative 上海交通大学 2020-09-18 CN disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-6620824-B2 Process for the synthesis of gonadotropin releasing hormone antagonists MERCK & CO., INC. 2003-09-16 US disclosed
US-20030013876-A1 Process for the synthesis of gonadotropin releasing hormone antagonists MERCK & CO., INC. 2003-01-16 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 (3 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-20260001849-A1 NOVEL B0AT1 INHIBITOR BCAT1, BCAT2, BHMT ACHE 4709/4885L3MBTL1 72/4885HSD11B1 610/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 ACHE 4796/4885L3MBTL1 4588/4885HSD11B1 2927/4885
US-20030013876-A1 Process for the synthesis of gonadotropin releasing hormone antagonists GNRHR, FSHR, GHRHR ACHE 2781/4885L3MBTL1 4866/4885HSD11B1 119/4885

“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.