SCHEMBL2772291

SCHEMBL2772291

Cc1cc(C(=O)O)ccc1-c1cccnc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
ADH5 P11766 3/20 0.48
POLB P06746 1/20 0.46
TTR P02766 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHODH Q02127 1/20 0.43
DYRK1A Q13627 1/20 0.43
PTPRC P08575 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPM1G O15355 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPRO Q16827 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL2772323 0.82 DHODH (0.46) ADH5POLBKDM4EALDH1A1GAA
SCHEMBL68014 0.81 ALDH1A1 (0.57) ADH5POLBTTRKDM4EALDH1A1
SCHEMBL272092 0.80 TTR (0.56) POLBTTRKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4352471 0.79 ALDH1A1 (0.56) ADH5POLBTTRKDM4EALDH1A1
SCHEMBL15999068 0.78 KDM4E (0.59) ADH5POLBTTRKDM4EALDH1A1
SCHEMBL12388484 0.78 TTR (0.50) POLBTTRKDM4EALDH1A1GAA
SCHEMBL14950602 0.77 ALDH1A1 (0.54) ADH5POLBTTRKDM4EALDH1A1
SCHEMBL14950582 0.77 ALDH1A1 (0.54) ADH5POLBTTRKDM4EALDH1A1
SCHEMBL19390554 0.77 ESR2 (0.50) MKNK1MKNK2POLBALDH1A1GAA
SCHEMBL1712772 0.77 MYC (0.56) POLBTTRKDM4EALDH1A1GAA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
CN-101815707-A oxadiazole diaryl compounds MERCK SERONO SA 2010-08-25 CN disclosed
EP-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 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-20100305104-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB MKNK1 3767/4885MKNK2 3585/4885ADH5 3134/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB MKNK1 3702/4885MKNK2 3529/4885ADH5 2968/4885

“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.