Sugi Predict

Sugi Predict / Compounds / SCHEMBL3158508

SCHEMBL3158508

SCHEMBL3158508

O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.67
▸ CA1 P00915 7/20 0.67
▸ CA9 Q16790 6/20 0.67
▸ CA12 O43570 5/20 0.67
▸ CA14 Q9ULX7 4/20 0.67
▸ CA3 P07451 3/20 0.67
▸ CA4 P22748 3/20 0.67
▸ CA6 P23280 3/20 0.67
▸ CA5A P35218 3/20 0.67
▸ CA7 P43166 3/20 0.67
▸ CA13 Q8N1Q1 3/20 0.67
▸ CA5B Q9Y2D0 3/20 0.67
▸ KMT2A Q03164 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ MMP1 P03956 1/20 0.59
▸ MMP2 P08253 1/20 0.59
▸ MMP9 P14780 1/20 0.59
▸ MMP8 P22894 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ GAA P10253 1/20 0.59

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
SCHEMBL11419996 1.00 CA2 (0.67) CA2CA1CA9CA12CA14
SCHEMBL11855965 1.00 CA2 (0.67) CA2CA1CA9CA12CA14
SCHEMBL10451887 0.93 CA1 (0.70) CA2CA1CA9CA12CA14
SCHEMBL11854911 0.93 CA1 (0.70) CA2CA1CA9CA12CA14
SCHEMBL11655146 0.91 AGTR1 (0.64) CA2CA1CA9CA12CA14
SCHEMBL3895943 0.91 AGTR1 (0.64) CA2CA1CA9CA12CA14
SCHEMBL9136918 0.89 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL6577803 0.89 ACHE (0.75) CA2CA1CA9CA12CA14
SCHEMBL2762326 0.89 ALDH1A1 (0.75) CA2CA1CA9CA12CA14
SCHEMBL6038264 0.89 HSPB1 (0.60) CA2CA1CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12537221-B2 Electrolyte for secondary battery and secondary battery including the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-01-27 — — US claimed
WO-2024239574-A1 CARBON-COATED NICKEL-PALLADIUM ALLOY NANOPARTICLE COMPOSITE MATERIAL, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国石油化工股份有限公司 2024-11-28 — — WO claimed
CN-118712381-A Organic positive electrode of primary battery, and preparation method and application thereof 武汉大学 2024-09-27 — — CN claimed
US-20220407116-A1 ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY INCLUDING THE SAME DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-22 — — US claimed
CN-114426506-A Method for preparing thioarylamine by catalytic hydrogenation 中国石油化工股份有限公司 2022-05-03 — — CN claimed
EP-1794107-B1 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA USA CORP (US) 2008-11-26 — — EP claimed
EP-1224165-B1 NOVEL COMPOUNDS NEW PHARMA RES SWEDEN AB (SE) 2005-12-14 — — EP claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 — — US claimed
US-5030704-A Self polymerizable phenylquinoxalines, their preparation and use in polyphenylquinoxaline homopolymers and copolymers THE UNIVERSITY OF AKRON (US) 1991-07-09 — — US claimed
WO-1990015836-A1 SELF-POLYMERIZABLE PHENYLQUINOXALINES THE UNIVERSITY OF AKRON (US) 1990-12-27 — — WO claimed
EP-0019712-A1 Process for partial reduction of polynitrodiaryl compounds BAYER AG (DE) 1980-12-10 — — EP claimed
JP-1087628-A — — None — — JP disclosed
JP-57126982-A — — None — — JP disclosed
JP-55013702-A — — None — — JP disclosed
US-12537221-B2 Electrolyte for secondary battery and secondary battery including the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-01-27 — — US disclosed
US-4108926-A 4,4*-BIS(3-ETHYNYLPHENOXY)DIPHENYL SULFONE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-08-22 — — US disclosed
US-4080365-A Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS (JA) 1978-03-21 — — US disclosed
US-4070391-A Process for producing isocyanate from nitro compounds and carbon monoxide using rhodium oxide catalysts ETHYL CORPORATION (US) 1978-01-24 — — US disclosed
US-4052437-A PROCESS FOR PRODUCING URETHANE FROM NITRO COMPOUNDS, HYDROXYL COMPOUNDS AND CARBON MONOXIDE USING RHODIUM OXIDE CATALYSTS ETHYL CORPORATION (US) 1977-10-04 — — US disclosed
US-4001290-A LACQUERS, COATINGS, ADHESIVES, TELOMERS, FOAM PLASTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 — — 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-12537221-B2 Electrolyte for secondary battery and secondary battery including the same NCS1, KCNN2, SLC9A1 CA2 15/4885CA1 124/4885CA9 99/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP CA2 4562/4885CA1 4825/4885CA9 4594/4885

“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.