SCHEMBL994972

SCHEMBL994972

Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
ALDH3A1 P30838 1/20 0.57
ALDH1A1 P00352 7/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.56
RECQL P46063 1/20 0.56
CCR2 P41597 1/20 0.55
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 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
SCHEMBL29397077 1.00 MCOLN3 (0.58) MCOLN3CRHBPCRHR2ALDH3A1ALDH1A1
Hydrogen Peroxide SCHEMBL28682950 0.96 TSHR (0.57) MCOLN3CRHBPCRHR2ALDH3A1ALDH1A1
SCHEMBL17347342 0.85 ALDH3A1 (0.47) MCOLN3CRHBPCRHR2ALDH3A1ALDH1A1
SCHEMBL10700954 0.85 MCOLN3 (0.58) MCOLN3CRHBPCRHR2ALDH1A1TSHR
SCHEMBL6516381 0.85 MAPT (0.53) MCOLN3CRHBPCRHR2ALDH3A1ALDH1A1
SCHEMBL9568265 0.83 LMNA (0.60) MCOLN3CRHBPCRHR2ALDH1A1TSHR
SCHEMBL1156340 0.83 CA2 (0.66) MCOLN3CRHBPCRHR2ALDH1A1TSHR
SCHEMBL731102 0.83 MCOLN3 (0.60) MCOLN3CRHBPCRHR2ALDH1A1TSHR
SCHEMBL6039257 0.83 MCOLN3 (0.56) MCOLN3CRHBPCRHR2ALDH1A1TSHR
SCHEMBL30430459 0.83 MCOLN3 (0.56) MCOLN3CRHBPCRHR2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497355-B2 Process for preparation of mesotrione and its intermediates RALLIS INDIA LIMITED (IN) 2025-12-16 US claimed
CN-119661410-A Preparation method of 2-nitro-4-methylsulfonyl benzoic acid 江苏扬农化工股份有限公司 2025-03-21 CN claimed
CN-119552099-A Green synthesis method of 2-nitro-4-methylsulfonyl benzoic acid 浙江工业大学 2025-03-04 CN claimed
CN-221964483-U 2-Nitro-4-methylsulfonyl toluene solution concentration evaporator 上虞颖泰精细化工有限公司 2024-11-08 CN claimed
CN-115784948-B New method for preparing 2-nitro-4-methylsulfonyl benzoic acid by oxidizing active manganese dioxide 嘉兴学院 2024-08-06 CN claimed
CN-118255699-A Method for continuously preparing 2-nitro-4-methylsulfonyl benzoic acid 北京颖泰嘉和生物科技股份有限公司 2024-06-28 CN claimed
CN-115672395-B Catalyst system and method for preparing 2-nitro-4-methylsulfonyl benzoic acid by catalytic oxidation 宁夏伟创药业有限公司 2024-06-14 CN claimed
CN-117964527-A Method for preparing 2-nitro-4-methylsulfonyl benzoic acid by catalytic oxidation 中国科学院兰州化学物理研究所 2024-05-03 CN claimed
CN-114085173-B Preparation method of 2-nitro-4-methylsulfonyl benzaldehyde 嘉兴学院 2024-04-16 CN claimed
CN-115819297-B Preparation method of 2-nitro-4-methylsulfonyl benzoic acid 南京先进生物材料与过程装备研究院有限公司 2024-03-29 CN claimed
US-9870909-B2 Compositions and methods for mass spectometry MSTM, LLC 2018-01-16 US claimed
CN-104844484-B method for preparing 2-nitro-4-methylsulfonylbenzoic acid by catalytic oxidation of 2-nitro-4-methylsulfonyltoluene 南京工业大学 2017-06-27 CN claimed
CN-104557639-B Method of preparing 2-nitro-4-methylsulfonyl benzoic acid 沈阳化工研究院有限公司 2017-05-10 CN claimed
CN-106496079-A The technique that a kind of Oxygen Catalytic Oxidation produces 2 nitro, 4 thiamphenicol benzoic acid 华东理工大学 2017-03-15 CN claimed
CN-103121961-B Synthesis method of weedicide mesotrione intermediate 2-nitro-4-mesyltoluene JIANGSU FLAG CHEMICAL INDUSTRY CO., LTD. (CN) 2014-10-01 CN claimed
CN-103121961-A Synthesis method of weedicide mesotrione intermediate 2-nitro-4-mesyltoluene JIANGSU FLAG CHEMICAL INDUSTRY CO LTD 2013-05-29 CN claimed
CN-102584650-A Preparation method of 2-nitro-4-methylsulphonylbenzoic acid SINOCHEM CORP 2012-07-18 CN claimed
US-7820863-B2 Process for purifying Mesotrione SYNGENTA CROP PROTECTION, INC. (US) 2010-10-26 US claimed
CN-100378071-C Process for purifying mesotrione SYNGENTA PARTICIPATIONS AG (CH) 2008-04-02 CN claimed
CN-1995014-A Method for preparing 2-nitro-4-methyl p-tolyl sulfone using solid superstrong acid UNIV HEILONGJIANG (CN) 2007-07-11 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-12497355-B2 Process for preparation of mesotrione and its intermediates COMT, NDUFS3, NDUFS7 MCOLN3 1125/4885CRHBP 1265/4885CRHR2 450/4885

“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.