SCHEMBL997443

SCHEMBL997443

O=[N+]([O-])c1ccc(S(=O)(=O)OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.59
CA1 P00915 7/20 0.59
CA9 Q16790 6/20 0.59
CA12 O43570 5/20 0.59
CA14 Q9ULX7 4/20 0.59
CA3 P07451 3/20 0.59
CA4 P22748 3/20 0.59
CA6 P23280 3/20 0.59
CA5A P35218 3/20 0.59
CA7 P43166 3/20 0.59
CA13 Q8N1Q1 3/20 0.59
CA5B Q9Y2D0 3/20 0.59
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48

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
SCHEMBL29280214 0.90 CA2 (0.53) CA2CA1CA9CA12CA14
SCHEMBL29488753 0.86 CA2 (0.59) CA2CA1CA9CA12CA14
SCHEMBL28570939 0.83 CA2 (0.47) CA2CA1CA9CA12CA14
SCHEMBL29392071 0.83 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL29657456 0.83 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL29965676 0.83 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL468315 0.83 CA1 (0.55) CA2CA1CA9CA12CA14
SCHEMBL1964478 0.83 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL30185020 0.83 CA1 (0.55) CA2CA1CA9CA12CA14
SCHEMBL1759354 0.83 CA2 (0.55) CA2CA1CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865932-B Preparation method of benzothiophene sulfone compound with medicinal and fluorescent activity BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2026-05-26 CN claimed
CN-119684197-A Preparation of 1, 8-diamino-3, 6-dioxaoctane difunctional derivative 上海药坦药物研究开发有限公司 2025-03-25 CN claimed
US-20240368063-A1 PREPARATION METHOD, INTERMEDIATE COMPOUNDS, AND SYNTHESIS METHOD FOR A CLASS OF ANTHRACENE-DERIVED TOXINS IN ORGANIC CHEMISTRY WUYAN PHARMACEUTICAL TECHNOLOGY (SHANGHAI) CO., LTD (CN) 2024-11-07 US claimed
CN-117865932-A Preparation method of benzothiophene sulfone compound with medicinal and fluorescent activity 北京化工大学 2024-04-12 CN claimed
CN-115650827-B Preparation method, intermediate compound and synthesis method for anthracycline derivatives 戊言医药科技(上海)有限公司 2024-03-15 CN claimed
CN-116942890-A Antibacterial anti-inflammatory thermosensitive hydrogel with function of promoting wound closure and preparation method thereof 西南交通大学 2023-10-27 CN claimed
CN-115650827-A Preparation method, intermediate compound and synthesis method for anthracycline derivatives 戊言医药科技(上海)有限公司 2023-01-31 CN claimed
US-20120157683-A1 PROCESS FOR THE PREPARATION OF DUTASTERIDE AUROBINDO PHARMA LTD (IN) 2012-06-21 US claimed
WO-2011004242-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DUTASTERIDE AUROBINDO PHARMA LIMITED (IN) 2011-01-13 WO claimed
CN-101429156-A Novel methods for producing 1,2,3,4-tetrahydrochysene-4,4-dimethyl quinoline and its derivant HEBEI BAILINGWEI HYPERFINE MAT (CN) 2009-05-13 CN claimed
US-4383946-A Process for the preparation of 1-carbapenems and intermediates via silyl-substituted dithioacetals MERCK & CO., INC. (US) 1983-05-17 US claimed
CN-117865932-B Preparation method of benzothiophene sulfone compound with medicinal and fluorescent activity BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2026-05-26 CN disclosed
US-12172956-B2 Method for the isomerization of a 3-(Z)-unsaturated carboxylic acid to the 3-(E)-isomer BASF SE (DE) 2024-12-24 US disclosed
US-20240368063-A1 PREPARATION METHOD, INTERMEDIATE COMPOUNDS, AND SYNTHESIS METHOD FOR A CLASS OF ANTHRACENE-DERIVED TOXINS IN ORGANIC CHEMISTRY WUYAN PHARMACEUTICAL TECHNOLOGY (SHANGHAI) CO., LTD (CN) 2024-11-07 US disclosed
CN-118696033-A 1,2, 3-Triazole carbonyl sulfonamide compound and application thereof PI工业有限公司 2024-09-24 CN disclosed
EP-0026817-A1 Preparation of azetidin-2-ones suitable for the synthesis of thienamycin and azetidin-2-ones useful in a synthesis of that kind MERCK & CO. INC. (US) 1981-04-15 EP disclosed
EP-0026816-A1 Intermediates for the preparation of thienamycin and process for preparing intermediates MERCK & CO. INC. (US) 1981-04-15 EP disclosed
US-4262010-A THIENAMYCIN-RELATED ANTIBIOTICS MERCK & CO., INC. (US) 1981-04-14 US disclosed
EP-0007973-A1 Process for the preparation of thienamycin and intermediates MERCK & CO. INC. (US) 1980-02-20 EP disclosed
US-4115058-A BLEACHES, DETERGENTS FMC CORPORATION (US) 1978-09-19 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-20240368063-A1 PREPARATION METHOD, INTERMEDIATE COMPOUNDS, AND SYNTHESIS METHOD FOR A CLASS OF ANTHRACENE-DERIVED TOXINS IN ORGANIC CHEMISTRY ANTXR2, AKR7A2, ACR CA2 411/4885CA1 277/4885CA9 191/4885
US-12172956-B2 Method for the isomerization of a 3-(Z)-unsaturated carboxylic acid to the 3-(E)-isomer HCAR2, HCAR1, AKR1C3 CA2 369/4885CA1 238/4885CA9 884/4885
US-20120157683-A1 PROCESS FOR THE PREPARATION OF DUTASTERIDE CYP21A2, CYP17A1, HSD17B7 CA2 379/4885CA1 525/4885CA9 262/4885

“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.