SCHEMBL410339

SCHEMBL410339

CCc1ccccc1-c1ccc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 5/20 0.47
PTPRC P08575 2/20 0.46
SRD5A2 P31213 1/20 0.46
ADH5 P11766 1/20 0.45
EPHX2 P34913 2/20 0.44
TTR P02766 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK2 Q15119 1/20 0.43
S1PR5 Q9H228 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 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
SCHEMBL536230 0.91 RORC (0.42) AKR1C3AKR1C2PTPRCSRD5A2ADH5
SCHEMBL536675 0.85 NOTUM (0.51) AKR1C3AKR1C2KDM4EALDH1A1PDK2
SCHEMBL272324 0.85 PTPRC (0.54) AKR1C3AKR1C2PTPRCSRD5A2ADH5
SCHEMBL336261 0.83 ADH5 (0.54) AKR1C3AKR1C2PTPRCSRD5A2ADH5
SCHEMBL319595 0.82 GPBAR1 (0.49) AKR1C3AKR1C2PTPRCSRD5A2ADH5
Hydrochloric Acid SCHEMBL9229512 0.81 ADH5 (0.52) AKR1C3AKR1C2PTPRCSRD5A2ADH5
Hydrochloric Acid SCHEMBL7740677 0.81 ADH5 (0.52) AKR1C3AKR1C2PTPRCSRD5A2ADH5
SCHEMBL403918 0.81 PTPRC (0.50) AKR1C3AKR1C2PTPRCSRD5A2ADH5
SCHEMBL10035260 0.80 EPHX2 (0.44) AKR1C3AKR1C2PTPRCSRD5A2EPHX2
SCHEMBL6293963 0.80 ALDH1A1 (0.46) AKR1C3AKR1C2SRD5A2EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB AKR1C3 1054/4885AKR1C2 1397/4885PTPRC 994/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB AKR1C3 1054/4885AKR1C2 1397/4885PTPRC 994/4885

“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.