SCHEMBL3388795

SCHEMBL3388795

FC(F)c1ccc(CBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
DAO P14920 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
TEAD1 P28347 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
MBOAT4 Q96T53 1/20 0.30

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
SCHEMBL5562562 0.84 TYR (0.44) TRPA1ALDH1A1TSHRDAO
SCHEMBL17816125 0.80 TSHR (0.40) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL20187515 0.80 TDP1 (0.48) DAOPGK1PGK2TEAD1
SCHEMBL2272987 0.78 TSHR (0.48) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL9221991 0.77 AKR1C3 (0.37) TSHR
SCHEMBL662302 0.76 PGK1 (0.38) DAOPGK1PGK2MRGPRX4
SCHEMBL131361 0.76 ALDH1A1 (0.67) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL8954829 0.76 TSHR (0.46) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL1659677 0.76 DAO (0.41) TSHRDAOPGK1PGK2TEAD1
SCHEMBL31375485 0.75 RAB9A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080069-A Phospholipid compounds and uses thereof 2026-05-26 CN disclosed
WO-2026046899-A1 PYRAZOLO[5,1-f][1,2,4]TRIAZIN-4-ONES AS INHIBITORS OF NOX4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2026-03-05 WO disclosed
EP-4692085-A2 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS Nxera Pharma UK Limited (GB) 2026-02-11 EP disclosed
WO-2025262243-A1 THIENO- AND THIAZOLOPYRIMIDINE-2,6-DIONES AND USE THEREOF AS IMMUNOMODULATORS INVIOS GMBH (AT) 2025-12-26 WO disclosed
EP-4041388-B1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-11-26 EP disclosed
US-12473314-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2025-11-18 US disclosed
EP-4602044-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF invIOs GmbH (AT) 2025-08-20 EP disclosed
CN-119954712-A Compound containing phenoxynaphthalene and preparation method and application thereof 四川轻化工大学 2025-05-09 CN disclosed
EP-4537828-A2 PHOSPHOLIPID COMPOUNDS AND USES THEREOF Gilead Sciences, Inc. (US) 2025-04-16 EP disclosed
EP-4200301-B1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2025-02-26 EP disclosed
EP-1915345-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 EP disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
WO-2007020190-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
WO-2007020190-A1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 US disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 US disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 US disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 TRPA1 3053/4885ALDH1A1 3005/4885TSHR 1509/4885
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system BACE1, BACE2, BRCA1 TRPA1 3671/4885ALDH1A1 630/4885TSHR 1778/4885
US-12473314-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TRPA1 2938/4885ALDH1A1 3639/4885TSHR 4567/4885

“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.