SCHEMBL4180430

SCHEMBL4180430

Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASP6 P55212 1/20 0.47
DTYMK P23919 1/20 0.46
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
HCAR3 P49019 2/20 0.44
LMNA P02545 2/20 0.43
CDC25B P30305 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43

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
Hydrochloric Acid SCHEMBL11774750 0.98 TSHR (0.59) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL272650 0.92 TSHR (0.61) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL772656 0.90 TSHR (0.58) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL29502565 0.90 TSHR (0.58) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL8136865 0.90 TSHR (0.58) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL8129334 0.90 TSHR (0.58) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL26841751 0.89 TSHR (0.56) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL2240139 0.85 TSHR (0.53) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL3224523 0.85 TSHR (0.53) TSHRCES2CES1L3MBTL1TDP1
SCHEMBL395696 0.85 TSHR (0.56) TSHRCES2CES1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170868-B Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid 北京印刷学院 2022-07-12 CN claimed
CN-111170868-A Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid 北京印刷学院 2020-05-19 CN claimed
EP-4714942-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC Corporation (US) 2026-03-25 EP disclosed
EP-4188093-B9 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC CORP (US) 2025-12-03 EP disclosed
EP-4188093-B1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC CORP (US) 2025-09-03 EP disclosed
US-20230278972-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC CORPORATION 2023-09-07 US disclosed
US-20230227415-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-07-20 US disclosed
EP-4188093-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC Corporation (US) 2023-06-07 EP disclosed
CN-116056575-A Substituted haloalkylsulfonanilide herbicides FMC公司 2023-05-02 CN disclosed
CN-111170868-B Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid 北京印刷学院 2022-07-12 CN disclosed
WO-2022026500-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC CRPORATION (US) 2022-02-03 WO disclosed
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
CN-1036006-C Antibiotic compounds ZENECA LTD (GB) 1997-10-01 CN disclosed
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 CN disclosed
US-4705861-A AZO DYE CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0187231-A2 Amino phenyl benzothiazoles BAYER AG (DE) 1986-07-16 EP disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 EP 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-20230278972-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES CBR3, CBR1, GRHPR TSHR 113/4885CES2 66/4885CES1 408/4885
US-20230227415-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF NOTUM, CYP3A5, DDT TSHR 1535/4885CES2 179/4885CES1 692/4885

“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.