SCHEMBL346586

SCHEMBL346586

O=C(O)COc1cccc(CBr)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.60
PPARG P37231 1/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.58
PTPN7 P35236 1/20 0.53
FFAR1 O14842 1/20 0.52
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA4 P22748 6/20 0.51
CA9 Q16790 6/20 0.51
MAPK1 P28482 1/20 0.50
PTGIR P43119 1/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
PLA2G4B P0C869 1/20 0.47

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
SCHEMBL347947 0.85 PPARA (0.44) PPARAPPARGLMNAPLA2G4B
SCHEMBL19501291 0.85 PPARA (0.48) PPARAPPARGLMNAFFAR1CA12
SCHEMBL1662603 0.85 PPARG (0.44) PPARAPPARGLMNACA12CA1
SCHEMBL7049768 0.84 LMNA (0.62) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL4465276 0.84 LMNA (0.62) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL413254 0.83 LMNA (0.81) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL1910457 0.83 PPARA (0.60) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL9791647 0.83 PPARA (0.60) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL29403718 0.83 PPARA (0.60) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL2936246 0.83 PPARA (0.60) PPARAPPARGLMNAALOX15PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434034-A1 Oxazole derivatives Bristol-Myers Squibb Company (US) 1991-06-26 EP claimed
EP-2733534-B1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-9298094-B2 Composition for forming fine pattern and method for forming fined pattern using same MERCK PATENT GMBH (DE) 2016-03-29 US disclosed
US-9298094-B2 Composition for forming fine pattern and method for forming fined pattern using same MERCK PATENT GMBH (DE) 2016-03-29 US disclosed
EP-2733534-A1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME AZ Electronic Materials USA Corp. (US) 2014-05-21 EP disclosed
US-20140127478-A1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME AZ ELECTRONIC MATERIALS USA CORP. 2014-05-08 US disclosed
US-20140127478-A1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME AZ ELECTRONIC MATERIALS USA CORP. 2014-05-08 US disclosed
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
CN-102293773-A Drug with benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORP 2011-12-28 CN disclosed
EP-1283825-A1 N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS Novartis AG (CH) 2003-02-19 EP disclosed
EP-1000038-B1 NOVEL PYRIMIDIN DERIVATIVES ASTRAZENECA AB (SE) 2002-11-06 EP disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 WO disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 US disclosed
WO-2001087828-A1 N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS NOVARTIS AG (CH) 2001-11-22 WO disclosed
US-6200981-B1 FOR TREATING INFLAMMATORY DISEASES SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS, RHEUMATOID ARTHRITIS, MYOCARDIAL ISCHAEMIA, CYSTIC FIBROSIS, ARTHEREOSCLEROSIS, RESTENOSIS, PERIDONTAL DISEASE, SEPTIC SHOCK, OSTEOARTHRITIS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed
EP-1000038-A1 NOVEL PYRIMIDIN DERIVATIVES AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999005123-A1 NOVEL PYRIMIDIN DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-02-04 WO disclosed
US-5262540-A FOR INHIBITION OF BLOOD PLATELET AGGREGATION IN MAMMALS BRISTOL-MYERS SQUIBB COMPANY (US) 1993-11-16 US disclosed
EP-0434034-A1 Oxazole derivatives Bristol-Myers Squibb Company (US) 1991-06-26 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 (1 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-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 PPARA 90/4885PPARG 268/4885LMNA 1909/4885

“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.