Sugi Predict

Sugi Predict / Compounds / SCHEMBL4456811

SCHEMBL4456811

SCHEMBL4456811

CCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.50
▸ CA2 P00918 7/20 0.50
▸ CA9 Q16790 5/20 0.50
▸ CA12 O43570 4/20 0.50
▸ CA14 Q9ULX7 4/20 0.50
▸ CA3 P07451 3/20 0.50
▸ CA4 P22748 3/20 0.50
▸ CA6 P23280 3/20 0.50
▸ CA5A P35218 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA13 Q8N1Q1 3/20 0.50
▸ CA5B Q9Y2D0 3/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ ACHE P22303 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ PTGS2 P35354 1/20 0.46

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
SCHEMBL20257485 0.86 CA1 (0.45) CA1CA2CA9CA12CA14
SCHEMBL27935675 0.86 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL15066367 0.85 CA1 (0.44) CA1CA2CA9CA12CA14
SCHEMBL30865768 0.85 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL10615560 0.84 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL27970653 0.83 MAPT (0.50) CA1CA2CA9CA12CA14
SCHEMBL782596 0.82 CA2 (0.44) CA1CA2CA9CA12CA14
SCHEMBL13969656 0.82 PRMT5 (0.64) CA1CA2CA5AMMP1MMP2
SCHEMBL8402357 0.81 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL19126863 0.81 CA1 (0.50) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824827-B1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2008-09-17 — — EP claimed
JP-2235928-A — — None — — JP disclosed
US-20240182382-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR UNIV COPENHAGEN (DK) 2024-06-06 — — US disclosed
CN-115057801-A F-18 labeled PSMA (patterned Markov chain) targeted PET (polyethylene terephthalate) probe and preparation method thereof 西南医科大学附属医院 2022-09-16 — — CN disclosed
US-10471161-B2 Vinylsulfone-based 18F-labeling compositions and methods and uses thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-11-12 — — US disclosed
CN-105579434-A Vinylsulfone-based 18F-labeling compositions and methods and uses thereof UNIV SOUTHERN CALIFORNIA 2016-05-11 — — CN disclosed
CN-103906743-A Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA 2014-07-02 — — CN disclosed
US-8389564-B2 Proteasome inhibitors TRIPHASE RESEARCH AND DEVELOPMENT I CORP. (CA) 2013-03-05 — — US disclosed
US-20120270919-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2012-10-25 — — US disclosed
US-8227503-B2 Proteasome inhibitors NEREUS PHARMACEUTICALS, INC. (US) 2012-07-24 — — US disclosed
US-20090253905-A1 PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-20090208866-A1 PHOTOSENSITIVE COMPOSITION TOSHIBA MEMORY CORPORATION (JP) 2009-08-20 — — US disclosed
JP-H02235928-A ONE-SHOT PRODUCTION OF BLOCK COPOLYMER DAIKIN IND LTD 1990-09-18 — — JP disclosed
EP-0166015-B1 FLUORCARBON ANION EXCHANGERS AND PROCESSES FOR THEIR PREPARATION Tosoh Corporation (JP) 1988-12-28 — — EP disclosed
EP-0113481-B1 FLUOROCARBON POLYMERS AND PROCESS FOR THEIR PREPARATION Tosoh Corporation (JP) 1988-03-16 — — EP disclosed
US-4661231-A ION EXCHANGE MEMBRANE TOYO SODA MANUFACTURING CO., LTD. (JP) 1987-04-28 — — US disclosed
US-4659744-A CATIONIC POLYMER CONTAINING SULFONAMIDE GROUPS AND QUATERNARY AMMONIUM SALTS TOYO SODA MANUFACTURING CO., LTD. (JP) 1987-04-21 — — US disclosed
US-4567206-A CATIONIC POLYMER MEMBRANES TOYO SODA MANUFACTURING CO., LTD. (JP) 1986-01-28 — — US disclosed
EP-0166015-A1 Fluorcarbon anion exchangers and processes for their preparation Tosoh Corporation (JP) 1986-01-02 — — EP disclosed
EP-0113481-A2 Fluorocarbon polymers and process for their preparation Tosoh Corporation (JP) 1984-07-18 — — 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 (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-20240182382-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR NBAS, HRAS, NAA15 CA1 1184/4885CA2 3601/4885CA9 899/4885
US-20120270919-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 CA1 3708/4885CA2 4532/4885CA9 3591/4885
US-20090253905-A1 PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT ARSA, STS, SCLY CA1 325/4885CA2 200/4885CA9 68/4885
US-10471161-B2 Vinylsulfone-based 18F-labeling compositions and methods and uses thereof TST, VARS1, STS CA1 3847/4885CA2 4778/4885CA9 3125/4885

“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.