SCHEMBL5899427

SCHEMBL5899427

CS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
GAA P10253 1/20 0.72
HTT P42858 1/20 0.72
CA2 P00918 2/20 0.68
CA5A P35218 1/20 0.68
CA1 P00915 1/20 0.62
MMP1 P03956 1/20 0.62
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
MMP13 P45452 1/20 0.62
MEN1 O00255 1/20 0.60
LMNA P02545 3/20 0.59
TSHR P16473 2/20 0.59
F2 P00734 3/20 0.57
PRSS1 P07477 3/20 0.57
PRSS2 P07478 3/20 0.57
PRSS3 P35030 3/20 0.57
ALDH1A1 P00352 2/20 0.55
ACHE P22303 2/20 0.55

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
SCHEMBL27930192 0.95 KMT2A (0.66) KMT2AGAAHTTCA2CA5A
SCHEMBL28145926 0.92 KMT2A (0.62) KMT2AGAAHTTCA2CA5A
Phenol SCHEMBL28105825 0.89 KMT2A (0.58) KMT2AGAAHTTCA2CA5A
SCHEMBL1416363 0.85 KMT2A (0.68) KMT2AGAAHTTCA2CA5A
SCHEMBL9580710 0.84 KMT2A (1.00) KMT2AGAAHTTCA2CA5A
SCHEMBL28091856 0.83 KMT2A (0.65) KMT2AGAAHTTCA2CA5A
SCHEMBL205255 0.82 KMT2A (0.75) KMT2AGAAHTTCA2CA5A
SCHEMBL2872110 0.82 KMT2A (0.64) KMT2AGAAHTTCA2CA5A
SCHEMBL15689650 0.82 KMT2A (0.64) KMT2AGAAHTTCA2CA5A
Ethane SCHEMBL21001656 0.81 KMT2A (0.68) KMT2AGAAHTTCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801045-B Preparation method of 2-nitro-4-methylsulfonyl benzoic acid 北京颖泰嘉和生物科技股份有限公司 2023-09-15 CN claimed
CN-113801045-B Preparation method of 2-nitro-4-methylsulfonyl benzoic acid 北京颖泰嘉和生物科技股份有限公司 2023-09-15 CN disclosed
EP-3674302-B1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE HOLDINGS CORP (US) 2023-03-01 EP disclosed
CN-217409988-U Centrifugal filter device for producing 2-nitro-4-methylsulfonylbenzoic acid 倍合德华强(连云港)医药化工科技有限公司 2022-09-13 CN disclosed
CN-108017479-B Method for producing aromatic compound 东曹株式会社 2022-07-29 CN disclosed
EP-3939968-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME Medicinal Bioconvergence Research Center (KR) 2022-01-19 EP disclosed
CN-213760791-U A separator that is used for 2-nitro-4 methylsulfonyl benzoic acid production to mix with raw materials 倍合德华强(连云港)医药化工科技有限公司 2021-07-23 CN disclosed
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN disclosed
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
CN-110256308-A Synthesis process of mesotrione 湖北广富林生物制剂有限公司 2019-09-20 CN disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20060025445-A1 11-Beta HSD1 inhibitors WYETH 2006-02-02 US disclosed
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
CN-1039492-C Herbicides ZENECA LTD (GB) 1998-08-12 CN disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
CN-1095066-A Weedicide ZENECA LTD (GB) 1994-11-16 CN disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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 (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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 KMT2A 1449/4885GAA 4203/4885HTT 4445/4885
US-20060025445-A1 11-Beta HSD1 inhibitors HSD11B1, HSD11B2, HSD3B1 KMT2A 1509/4885GAA 2422/4885HTT 2367/4885

“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.