SCHEMBL5563172

SCHEMBL5563172

CCOC(=O)COc1cccc(CBr)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.67
PPARG P37231 2/20 0.67
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRM2 Q14416 1/20 0.47
F9 P00740 1/20 0.46
F10 P00742 1/20 0.46
PTPN1 P18031 1/20 0.44
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL27388673 0.89 PPARA (0.72) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL12504047 0.88 PPARA (0.71) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL4432959 0.87 PPARA (0.69) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL9863137 0.86 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL10904428 0.85 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL12406953 0.85 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL1910455 0.85 PPARA (0.67) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL4082494 0.85 ALDH1A1 (0.51) PPARAPPARGGAAALDH1A1
SCHEMBL2731682 0.84 PPARA (0.66) PPARAPPARGGAAKDM4EHSD17B10
SCHEMBL14882747 0.83 PPARA (0.68) PPARAPPARGGAAKDM4EHSD17B10

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-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
WO-2016057660-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2016-04-14 WO 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
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
US-6660759-B1 4.5-diaryloxazole compounds with prostaglandin I2 (PGI2) agonistic activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
US-6300344-B1 FOR THERAPEUTIC AND/OR PROPHYLACTIC TREATMENT OF ARTERIAL OBSTRUCTION, CEREBROVASCULAR DISEASE, HEPATIC CIRRHOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASE, RESTENOSIS AFTER PERCUTANEOUS TRANSLUMINAL CORONARY ANGIOPLASTY, HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
WO-2001016132-A1 4,5-DIARYLOXAZOLE COMPOUNDS WITH PROSTAGLANDIN 12 (PG12) AGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-08 WO disclosed
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
US-5972965-A USEFUL FOR INHIBITION OF PLATELET AGGREGATION, VASODILATION, ANTIHYPERTENSIVE ACTIVITY AND PROSTAGLANDIN AGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO disclosed
EP-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed
WO-1997003973-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed
EP-0142324-B1 PHENYLALKANOIC ACID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-04 EP disclosed
US-4668698-A [(4-phenyl-1,3-dioxan-cis-5-yl)alkyl]phenylalkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-26 US disclosed
EP-0142324-A2 Phenylalkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-22 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 (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-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 PPARA 1453/4885PPARG 2141/4885GAA 2302/4885
US-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 PPARA 2767/4885PPARG 646/4885GAA 490/4885

“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.