SCHEMBL3756486

SCHEMBL3756486

COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(CO)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 15/20 1.00
▸ ALDH1A1 P00352 3/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ S1PR3 Q99500 2/20 0.54
▸ TP53 P04637 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HTT P42858 1/20 0.48

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
SCHEMBL2813909 0.90 S1PR1 (1.00) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2771501 0.89 S1PR1 (1.00) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13873760 0.89 S1PR1 (0.80) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2812087 0.85 S1PR1 (0.80) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2772952 0.83 S1PR1 (0.80) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2771674 0.82 S1PR1 (1.00) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2775237 0.81 S1PR1 (0.88) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2788271 0.79 S1PR1 (0.81) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2772770 0.79 S1PR1 (0.93) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2804391 0.79 S1PR1 (0.66) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2

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 15 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
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 277/4885ALDH1A1 263/4885NPC1 4703/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB S1PR1 174/4885ALDH1A1 183/4885NPC1 4599/4885

“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.

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