SCHEMBL277652

SCHEMBL277652

COC(=O)c1ccc(C(=O)CBr)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.56
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 2/20 0.51
PPARG P37231 2/20 0.51
NCOA1 Q15788 2/20 0.51
NCOA3 Q9Y6Q9 2/20 0.51
NCOA2 Q15596 1/20 0.51
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL70027 0.84 NPSR1 (0.67) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL7219808 0.82 HDAC3 (0.59) GSK3BLMNAHPGDL3MBTL1TSHR
SCHEMBL15079224 0.81 GSK3B (0.51) GSK3BNPSR1LMNAPPARGNCOA1
SCHEMBL18153171 0.80 GSK3B (0.64) GSK3BPOLBRAB9A
SCHEMBL6360802 0.79 NPSR1 (0.49) GSK3BNPSR1LMNAPPARGNCOA1
SCHEMBL16753170 0.78 GSK3B (0.49) GSK3BNPSR1PPARGNCOA2HPGD
SCHEMBL1303016 0.78 NPSR1 (0.60) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL348559 0.78 LMNA (0.51) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL27529610 0.77 NPSR1 (0.54) GSK3BNPSR1LMNAPPARGNCOA1
SCHEMBL277203 0.76 LMNA (0.58) GSK3BNPSR1LMNAPPARGNCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558494-A1 1,3,4-OXADIAZOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS ITALFARMACO S.p.A. (IT) 2025-05-28 EP disclosed
WO-2024017897-A1 1,3,4-OXADIAZOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS ITALFARMACO S.P.A. (IT) 2024-01-25 WO disclosed
WO-2024017897-A1 1,3,4-OXADIAZOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS ITALFARMACO S.P.A. (IT) 2024-01-25 WO disclosed
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds AVEXXIN AS (NO) 2023-07-04 US disclosed
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds AVEXXIN AS (NO) 2023-07-04 US disclosed
CN-110372692-B Dihydroquinazolinone reverse transport process blocker, and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-23 CN disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180105507-A1 ANTIIFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES ABD 2-OXOTHIOPHENES COMPOUNDS AVEXXIN AS (NO) 2018-04-19 US disclosed
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 WO disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed
EP-0021840-B1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1983-08-31 EP disclosed
US-4316907-A Heterocyclic compounds, processes for their preparation and their use GLAXO GROUP LIMITED (GB) 1982-02-23 US disclosed
EP-0021840-A1 Heterocyclic compounds, processes for their preparation and compositions containing them GLAXO GROUP LIMITED (GB) 1981-01-07 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-20180105507-A1 ANTIIFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES ABD 2-OXOTHIOPHENES COMPOUNDS FOXO1, FOXO3, BCOR GSK3B 4163/4885NPSR1 4656/4885LMNA 4433/4885
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 GSK3B 4101/4885NPSR1 829/4885LMNA 2988/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 GSK3B 4108/4885NPSR1 1061/4885LMNA 3270/4885
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds CASP1, IL1B, OXER1 GSK3B 2867/4885NPSR1 2413/4885LMNA 2661/4885
US-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK GSK3B 198/4885NPSR1 3361/4885LMNA 3906/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI GSK3B 366/4885NPSR1 3450/4885LMNA 373/4885

“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.