SCHEMBL4070631

SCHEMBL4070631

C=CS(=O)(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA2 P00918 1/20 0.46
PTPRC P08575 2/20 0.34
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
CYP2D6 P10635 1/20 0.31
DGAT1 O75907 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8634166 0.81 CA12 (0.43) CA12CA14CA2CA1CA7
SCHEMBL14962838 0.77 CA12 (0.51) CA12CA14CA2PTPRCCA1
SCHEMBL28326823 0.77 CA12 (0.51) CA12CA14CA2PTPRCCA1
SCHEMBL21374743 0.77 CA12 (0.42) CA12CA14CA2PTPRC
SCHEMBL28149553 0.76 CA12 (0.50) CA12CA14CA2PTPRCCA1
SCHEMBL4062348 0.75 TDP1 (0.46) CA12CA14CA2CA1CA7
SCHEMBL23694206 0.74 CA12 (0.57) CA12CA14CA2PTPRCCA1
SCHEMBL9138923 0.72 TSHR (0.46) CA12CA14CA2PTPRCCYP2D6
SCHEMBL3606282 0.72 CA12 (0.46) CA12CA14CA2CA1CA7
SCHEMBL5729505 0.71 ALDH1A1 (0.49) CA12CA2CA1ALDH1A1LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112175-A1 PYRIDAZINES HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-04-14 US disclosed
US-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
EP-3927697-A1 PYRIDAZINES HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-29 EP disclosed
EP-3924347-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
CN-113439081-A Pyridazinium compounds for use in methods of controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-24 CN disclosed
CN-113423704-A Pyridazine herbicidal compounds 先正达农作物保护股份公司 2021-09-21 CN disclosed
WO-2020164973-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (4 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-20220112175-A1 PYRIDAZINES HERBICIDAL COMPOUNDS DDT, PLPBP, CYP4Z1 CA12 4110/4885CA14 4344/4885CA2 1182/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CA12 3532/4885CA14 2276/4885CA2 3394/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CA12 3532/4885CA14 2276/4885CA2 3394/4885
US-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH DDT, PNPO, PLPBP CA12 4665/4885CA14 4574/4885CA2 2002/4885

“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.