SCHEMBL410127

SCHEMBL410127

C[C@@H]1CCCCN1c1ccc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
GFER P55789 1/20 0.48
TTR P02766 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL409116 1.00 S1PR1 (0.49) S1PR1GPBAR1GFERTTRTAS1R3
SCHEMBL405390 1.00 S1PR1 (0.49) S1PR1GPBAR1GFERTTRTAS1R3
SCHEMBL536168 1.00 S1PR1 (0.49) S1PR1GPBAR1GFERTTRTAS1R3
Hydrochloric Acid SCHEMBL2810962 0.99 S1PR1 (0.48) S1PR1GPBAR1GFERTTRTAS1R3
SCHEMBL2484886 0.92 S1PR1 (0.52) S1PR1GPBAR1GFERTTRRARA
SCHEMBL18373542 0.91 GFER (0.47) S1PR1GPBAR1GFERTTRGAA
SCHEMBL1725667 0.88 S1PR1 (0.48) S1PR1GPBAR1GFERTTRRARA
SCHEMBL410194 0.87 S1PR1 (0.50) S1PR1GPBAR1GFERGAAHPGD
Hydrochloric Acid SCHEMBL16817128 0.86 S1PR1 (0.49) S1PR1GPBAR1GFERGAAHPGD
SCHEMBL20702699 0.82 S1PR1 (0.48) S1PR1GPBAR1GFERGAAHPGD

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 27 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
EP-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 EP disclosed
CN-102245602-B Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA 2014-09-10 CN 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-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
CN-102245602-A Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA 2011-11-16 CN 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-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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 S1PR1 402/4885GPBAR1 1478/4885GFER 1596/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885GPBAR1 2201/4885GFER 1446/4885

“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.