SCHEMBL4421032

SCHEMBL4421032

O=[N+]([O-])c1ccccc1S(=O)(=O)NOCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.62
CYP19A1 P11511 1/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 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
SCHEMBL30586133 1.00 AR (0.62) ARCYP19A1CA1CA2MMP1
SCHEMBL29592713 0.79 CA1 (0.54) ARCYP19A1CA1CA2MMP1
SCHEMBL15318838 0.79 CA1 (0.54) ARCYP19A1CA1CA2MMP1
SCHEMBL31318363 0.79 AR (0.57) ARCYP19A1CA1CA2MMP1
SCHEMBL6535542 0.78 CYP19A1 (0.58) ARCYP19A1CA1CA2MMP1
SCHEMBL4504076 0.78 CYP19A1 (0.83) ARCYP19A1CA1CA2MMP1
SCHEMBL1630292 0.77 CA1 (0.63) CYP19A1CA1CA2MMP1MMP2
SCHEMBL29096884 0.77 CYP19A1 (0.56) ARCYP19A1CA1CA2MMP1
SCHEMBL2494822 0.76 TDP1 (0.51) CA1CA2KMT2AMEN1TDP1
SCHEMBL18455317 0.76 KMT2A (0.44) ARCA1CA2KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854786-B1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES UBE CORP (JP) 2026-02-18 EP disclosed
US-12281074-B2 Method for producing amino acid derivatives UBE CORPORATION (JP) 2025-04-22 US disclosed
US-12202800-B2 Method for producing amino acid derivatives API CORPORATION (JP) 2025-01-21 US disclosed
CN-118271319-A Beta-lactamase inhibitor urea-containing bicyclic compound, preparation method and application thereof 成都四面体药物研究有限公司 2024-07-02 CN disclosed
US-20240150292-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API CORPORATION (JP) 2024-05-09 US disclosed
US-11897844-B2 Method for producing amino acid derivatives API CORPORATION (JP) 2024-02-13 US disclosed
US-20240002340-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API CORPORATION (JP) 2024-01-04 US disclosed
CN-110709081-B Compounds and methods for treating bacterial infections 恩塔西斯治疗公司 2023-09-22 CN disclosed
EP-3766869-B1 SIMPLE PREPARATION METHOD FOR AVIBACTAM XINFA PHARMACEUTICAL CO LTD (CN) 2023-05-10 EP disclosed
EP-3733648-B1 METHOD FOR PREPARING 5R-BENZYLOXYAMINOPIPERIDIN-2S-CARBOXYLIC ACID OR DERIVATIVE THEREOF XINFA PHARMACEUTICAL CO LTD (CN) 2022-06-08 EP disclosed
WO-2013149136-A1 ISOXAZOLE β-LACTAMASE INHIBITORS CUBIST PHARMACEUTICALS, INC. (US) 2013-10-03 WO disclosed
US-7638505-B2 Organophosphoric derivatives useful as anti-parasitic agents UNIVERSITEIT GENT (BE) 2009-12-29 US disclosed
US-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents UNIVERSITEIT GENT (BE) 2008-12-18 US disclosed
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO disclosed
EP-0023141-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, COMPOSITIONS CONTAINING THEM, INTERMEDIATES THEREFOR AND PREPARATION OF SUCH INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-11 EP disclosed
US-4417917-A BENZENE DISULFONIC ACID DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-11-29 US disclosed
EP-0070041-A2 Substituted benzenesulfonyl isocyanates and isothiocyanates and processes for their preparation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-19 EP disclosed
US-4310346-A HERBICIDES AND PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-12 US disclosed
EP-0023141-A2 Herbicidal sulfonamides, preparation and use thereof, compositions containing them, intermediates therefor and preparation of such intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 EP 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 (6 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-20240150292-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES PTGS2, PTGES, PTGS1 AR 906/4885CYP19A1 392/4885CA1 3133/4885
US-12202800-B2 Method for producing amino acid derivatives GLO1, BCAT2, BCAT1 AR 1266/4885CYP19A1 385/4885CA1 612/4885
US-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents SUB1, CBR1, NAT1 AR 4420/4885CYP19A1 3949/4885CA1 1258/4885
US-20240002340-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES GLO1, BCAT2, BCAT1 AR 1266/4885CYP19A1 385/4885CA1 612/4885
US-11897844-B2 Method for producing amino acid derivatives PTGS2, PTGES, PTGES2 AR 1045/4885CYP19A1 450/4885CA1 3249/4885
US-12281074-B2 Method for producing amino acid derivatives PTGS2, PTGES, PTGES2 AR 1045/4885CYP19A1 450/4885CA1 3249/4885

“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.