SCHEMBL1964131

SCHEMBL1964131

CC(C)(C)OC(=O)COc1ccc(C(=O)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
PTPN1 P18031 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PLA2G4B P0C869 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ELANE P08246 1/20 0.42
PTGS2 P35354 1/20 0.40

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
SCHEMBL1964630 0.85 PLA2G4B (0.61) PTPN1PLA2G4B
SCHEMBL7335964 0.85 L3MBTL1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6229185 0.84 PARP10 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6695825 0.83 PTGS2 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14652405 0.83 MAPT (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5350412 0.83 MAPT (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3308879 0.83 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3584866 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7283346 0.81 PTGS2 (0.58) L3MBTL1KMT2AMEN1GAAMAPT
SCHEMBL17652044 0.81 SMN1; SMN2 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 PSEN1 2876/4885PSEN2 2803/4885APH1B 1921/4885
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA PSEN1 3911/4885PSEN2 3996/4885APH1B 1132/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 PSEN1 2876/4885PSEN2 2803/4885APH1B 1921/4885

“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.