SCHEMBL1968491

SCHEMBL1968491

CC(C)(C)OC(=O)COc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 4/20 0.52
PLA2G4B P0C869 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTPN1 P18031 1/20 0.49
MAOB P27338 1/20 0.49
RAB9A P51151 3/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48

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
SCHEMBL20759007 0.89 KMT2A (0.50) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL18703879 0.86 MAOB (0.52) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20519922 0.86 PTPN1 (0.45) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL31354704 0.86 RAB9A (0.54) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL18705316 0.86 RAB9A (0.54) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL2830303 0.85 KMT2A (0.59) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL12697639 0.85 ALDH1A1 (0.59) KMT2ALMNAMAPTPLA2G4BALDH1A1
SCHEMBL21980210 0.84 LMNA (0.49) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL7280656 0.84 ALDH1A1 (0.55) KMT2AMAPTPLA2G4BALDH1A1MEN1
SCHEMBL20520122 0.84 LMNA (0.47) KMT2ASLC6A2SLC6A3TDP1LMNA

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 15 patents. 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
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP 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
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

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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 KMT2A 4427/4885SLC6A2 4006/4885SLC6A3 4020/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 KMT2A 4427/4885SLC6A2 4006/4885SLC6A3 4020/4885

“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.