SCHEMBL1966017

SCHEMBL1966017

N#Cc1ccc(O[C@H]2CCOC2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
PDE4D Q08499 3/20 0.41
CHEK1 O14757 2/20 0.41
AR P10275 4/20 0.40
SSTR4 P31391 1/20 0.39
ALK Q9UM73 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
IKBKE Q14164 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL1962561 1.00 SYK (0.55) SYKPDE4DCHEK1ARSSTR4
SCHEMBL1962558 1.00 SYK (0.55) SYKPDE4DCHEK1ARSSTR4
SCHEMBL248302 0.92 SYK (0.65) SYKCHEK1ARSSTR4MRGPRX4
SCHEMBL1962810 0.83 TRPC6 (0.44) PDE4DCHEK1ARALKIKBKE
SCHEMBL1965826 0.83 TRPC6 (0.44) PDE4DCHEK1ARALKIKBKE
SCHEMBL3747459 0.83 TRPC6 (0.44) PDE4DCHEK1ARALKIKBKE
SCHEMBL15801283 0.80 SYK (0.84) SYKPDE4DPDE4APDE4BPDE4C
SCHEMBL12180311 0.80 SYK (0.84) SYKPDE4DPDE4APDE4BPDE4C
SCHEMBL27077048 0.80 SYK (0.59) SYKPDE4DPDE4APDE4BPDE4C
SCHEMBL12391611 0.80 CHEK1 (0.45) SYKPDE4DCHEK1ALKIKBKE

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-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 SYK 939/4885PDE4D 106/4885CHEK1 2417/4885

“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.