SCHEMBL409177

SCHEMBL409177

Cc1ccccc1-c1ccc(C(=O)O)cc1CN(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TTR P02766 1/20 0.45
PTPRC P08575 2/20 0.44
KMT2A Q03164 3/20 0.42
SRD5A2 P31213 2/20 0.42
POLB P06746 1/20 0.42
SRD5A1 P18405 1/20 0.42
MEN1 O00255 2/20 0.41
NR1H4 Q96RI1 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
LMNA P02545 1/20 0.40
S1PR1 P21453 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 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
SCHEMBL405968 0.85 TTR (0.47) ALDH1A1TTRPTPRCKMT2ASRD5A2
SCHEMBL410449 0.85 MEN1 (0.45) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL2789367 0.84 TTR (0.46) ALDH1A1TTRPTPRCKMT2ASRD5A2
SCHEMBL5937202 0.83 ALDH1A1 (0.56) ALDH1A1TTRPTPRCKMT2ASRD5A2
Water SCHEMBL2789366 0.82 TTR (0.45) ALDH1A1TTRPTPRCKMT2ASRD5A2
SCHEMBL27619926 0.82 ALDH1A1 (0.54) ALDH1A1TTRPTPRCKMT2ASRD5A2
SCHEMBL319590 0.81 S1PR1 (0.52) TTRPTPRCKMT2ASRD5A2POLB
SCHEMBL272092 0.81 TTR (0.56) ALDH1A1TTRPTPRCKMT2ASRD5A2
SCHEMBL2773165 0.80 TTR (0.46) ALDH1A1TTRPTPRCKMT2ASRD5A2
SCHEMBL2770922 0.79 TTR (0.42) TTRPTPRCKMT2ASRD5A2POLB

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-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
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-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US 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-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
EP-2376484-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS Merck Serono S.A. (CH) 2011-10-19 EP disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 WO disclosed
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 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-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, AQP4, NDUFS3 ALDH1A1 1459/4885TTR 3652/4885PTPRC 4120/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ALDH1A1 510/4885TTR 2188/4885PTPRC 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.