SCHEMBL2806811

SCHEMBL2806811

O=C(O)COc1ccc(-c2noc(-c3cnc(Cl)c(Cl)c3)n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
S1PR1 P21453 10/20 0.42
TDP1 Q9NUW8 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
FFAR1 O14842 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
S1PR3 Q99500 2/20 0.41
MAP4K4 O95819 2/20 0.41
MINK1 Q8N4C8 2/20 0.41
S1PR5 Q9H228 1/20 0.41
PKM P14618 1/20 0.40
PRKCD Q05655 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
SCHEMBL2803420 0.86 S1PR1 (0.56) S1PR1S1PR3MAP4K4MINK1S1PR5
SCHEMBL2804078 0.85 SCN9A (0.49) S1PR1NR1H4S1PR3MAP4K4MINK1
SCHEMBL2806776 0.85 S1PR1 (0.42) RARARARBRARGS1PR1NR1H4
SCHEMBL27828701 0.84 MAPT (0.42) RARARARBRARGS1PR1MAP4K4
SCHEMBL2803290 0.84 PPARD (0.45) S1PR1NR1H4FFAR1PPARDPPARA
SCHEMBL2803085 0.83 S1PR1 (0.49) S1PR1NR1H4S1PR3MAP4K4MINK1
SCHEMBL13127636 0.83 S1PR1 (0.51) S1PR1NR1H4S1PR3MAP4K4MINK1
SCHEMBL2775577 0.78 RARA (0.48) RARARARBRARGS1PR1S1PR3
SCHEMBL2788236 0.76 S1PR1 (0.60) S1PR1NR1H4FFAR1S1PR3S1PR5
SCHEMBL1992488 0.72 PTGDR2 (0.53) TDP1

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 5 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
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
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

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 RARA 1404/4885RARB 877/4885RARG 1040/4885

“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.