SCHEMBL5028957

SCHEMBL5028957

CS(=O)(=O)c1ccccc1C(=O)CBr

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.51
PTPN1 P18031 3/20 0.49
LMNA P02545 2/20 0.44
GSK3B P49841 2/20 0.44
HPGDS O60760 1/20 0.42
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
EED O75530 1/20 0.39
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
CA5A P35218 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
ITGAV P06756 1/20 0.38

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
SCHEMBL30455726 1.00 BCAT2 (0.51) BCAT2PTPN1LMNAGSK3BHPGDS
SCHEMBL16648462 0.84 PTPN1 (0.47) PTPN1GSK3BHPGDSCA9CA1
SCHEMBL7614169 0.83 BCAT2 (0.53) BCAT2LMNACA9CA1CA2
SCHEMBL13651738 0.83 BCAT2 (0.53) BCAT2LMNACA9CA1CA2
SCHEMBL29709071 0.81 PTPN1 (0.49) PTPN1GSK3BHPGDSCA9CA1
SCHEMBL13647215 0.80 BCAT2 (0.50) BCAT2LMNACA9CA1CA2
SCHEMBL4321077 0.78 BCAT2 (0.59) BCAT2LMNACA9CA1CA2
SCHEMBL7904042 0.77 PTPN1 (0.45) PTPN1GSK3BHPGDSCA9CA1
SCHEMBL1988980 0.77 BCAT2 (0.51) BCAT2LMNACA9CA1CA2
SCHEMBL1988936 0.77 BCAT2 (0.47) BCAT2LMNACA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661400-B2 NADPH oxidase inhibitors, pharmaceutical composition comprising the same, and application thereof TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2023-05-30 US disclosed
US-11661400-B2 NADPH oxidase inhibitors, pharmaceutical composition comprising the same, and application thereof TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2023-05-30 US disclosed
US-11661400-B2 NADPH oxidase inhibitors, pharmaceutical composition comprising the same, and application thereof TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2023-05-30 US disclosed
US-20210276957-A1 NADPH OXIDASE INHIBITORS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND APPLICATION THEREOF TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2021-09-09 US disclosed
US-20210276957-A1 NADPH OXIDASE INHIBITORS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND APPLICATION THEREOF TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2021-09-09 US disclosed
CN-112292131-A NADPH oxidase inhibitors, pharmaceutical compositions containing them, and their use 景凱生物科技股份有限公司 2021-01-29 CN disclosed
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 WO disclosed
EP-1438046-A4 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2004-10-20 EP disclosed
EP-1438046-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2004-07-21 EP disclosed
US-6720346-B2 (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS AGOURON PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 US disclosed
WO-2003004467-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2003-01-16 WO disclosed
EP-0798294-B1 Process for preparing alpha-haloacetophenone derivative SUMITOMO SEIKA CHEMICALS (JP) 2000-06-14 EP disclosed
US-5821388-A Process for preparing α-haloacetophenone derivative SUMITOMO SEIKA CHEMICAL CO., LTD. (JP) 1998-10-13 US disclosed
EP-0798294-A2 Process for preparing haloacetophenone derivative SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-10-01 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 (3 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-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A BCAT2 103/4885PTPN1 789/4885LMNA 3416/4885
US-20210276957-A1 NADPH OXIDASE INHIBITORS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND APPLICATION THEREOF NOX1, CYBB, NOX4 BCAT2 2401/4885PTPN1 331/4885LMNA 4614/4885
US-11661400-B2 NADPH oxidase inhibitors, pharmaceutical composition comprising the same, and application thereof NOX1, CYBB, NOX4 BCAT2 2401/4885PTPN1 331/4885LMNA 4614/4885

“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.