SCHEMBL2879741

SCHEMBL2879741

FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 1.00
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL3756492 0.86 S1PR1 (1.00) S1PR1TP53RAB9ASMN1; SMN2NPC1
SCHEMBL14817159 0.83 S1PR1 (0.79) S1PR1
SCHEMBL3759412 0.83 S1PR1 (1.00) S1PR1
SCHEMBL2878823 0.83 S1PR1 (0.79) S1PR1
SCHEMBL14817160 0.82 S1PR1 (0.77) S1PR1
SCHEMBL3756403 0.80 S1PR1 (1.00) S1PR1TP53RAB9ASMN1; SMN2NPC1
SCHEMBL3760058 0.79 S1PR1 (0.80) S1PR1POLBMAPT
SCHEMBL12997625 0.79 S1PR1 (0.72) S1PR1POLBMAPT
SCHEMBL3756375 0.79 S1PR1 (0.80) S1PR1POLBMAPT
SCHEMBL2839434 0.78 S1PR1 (0.78) S1PR1POLBMAPT

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 17 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
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 S1PR1 277/4885DPP4 3195/4885DPP7 2991/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB S1PR1 174/4885DPP4 3406/4885DPP7 3032/4885

“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.