SCHEMBL2806742

SCHEMBL2806742

O=C(O)c1ccc(-c2noc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)n2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.58
NOTUM Q6P988 2/20 0.51
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RARA P10276 4/20 0.46
RARB P10826 4/20 0.46
RARG P13631 4/20 0.46
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 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
SCHEMBL2773263 0.90 S1PR1 (0.61) S1PR1NOTUMHDAC4HDAC6PDE3B
SCHEMBL2772710 0.86 RARA (0.55) S1PR1HDAC4HDAC6RARARARB
SCHEMBL2774195 0.82 S1PR1 (0.67) S1PR1RARARARBRARG
SCHEMBL3746263 0.79 S1PR1 (0.64) S1PR1
SCHEMBL2773267 0.77 S1PR1 (0.46) S1PR1HDAC4HDAC6RARARARB
SCHEMBL2777624 0.77 RARA (0.56) S1PR1HDAC4HDAC6RARARARB
SCHEMBL3738000 0.76 DYRK3 (0.66) S1PR1NOTUMPDE3BPDE3A
SCHEMBL12619242 0.76 S1PR1 (0.60) S1PR1NOTUMPDE3BPDE3A
SCHEMBL2787960 0.75 S1PR1 (0.67) S1PR1
SCHEMBL3749306 0.74 S1PR1 (0.58) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES 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 (1 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 S1PR1 483/4885NOTUM 4630/4885HDAC4 694/4885

“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.