SCHEMBL1016551

SCHEMBL1016551

CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 1/20 0.53
KMT2A Q03164 4/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP19A1 P11511 1/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
PYCR1 P32322 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 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
SCHEMBL14060330 0.87 TSHR (0.56) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL7131786 0.86 TSHR (0.62) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL15686510 0.85 TSHR (0.57) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL496751 0.84 TSHR (0.61) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL6204264 0.84 TSHR (0.53) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL8870409 0.83 TSHR (0.59) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL31435656 0.83 TSHR (0.59) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL8870399 0.83 TSHR (0.59) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL1169876 0.83 TSHR (0.59) TSHRCYP1A2CYP2C19CYP3A4LMNA
SCHEMBL19220492 0.83 TSHR (0.39) TSHRCYP1A2CYP2C19CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249675-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 2023-11-21 CN claimed
CN-119930484-A Synthesis method of 4-methylsulfonyl toluene derivative 辽宁龙田化工科技有限公司 2025-05-06 CN disclosed
CN-119552099-A Green synthesis method of 2-nitro-4-methylsulfonyl benzoic acid 浙江工业大学 2025-03-04 CN disclosed
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 disclosed
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 disclosed
CN-117715887-A Preparation method of 2-nitro-4-methylsulfonyl benzoic acid 加尔达化学有限公司 2024-03-15 CN disclosed
CN-117447368-A Catalytic technology for producing 2-nitro-4-methylsulfonyl benzoic acid 华东理工大学 2024-01-26 CN disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
CN-117185970-A Method for continuously preparing 2-nitro-4-methylsulfonyl toluene 北京颖泰嘉和生物科技股份有限公司 2023-12-08 CN disclosed
CN-114249675-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 2023-11-21 CN disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed
WO-1994007869-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-04-14 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 (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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 TSHR 560/4885CYP1A2 16/4885CYP2C19 4/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 TSHR 3945/4885CYP1A2 3280/4885CYP2C19 2625/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 TSHR 1891/4885CYP1A2 8/4885CYP2C19 3/4885

“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.