SCHEMBL1796211

SCHEMBL1796211

CC(Oc1ccc(C#N)cc1C(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.43
KCNH2 Q12809 3/20 0.43
MKNK2 Q9HBH9 1/20 0.37
RORC P51449 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
AR P10275 3/20 0.33
HRH4 Q9H3N8 1/20 0.32
GPR6 P46095 1/20 0.32
NR3C1 P04150 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL12619035 0.82 MKNK2 (0.42) SLC6A9KCNH2MKNK2RORCPTGDR2
SCHEMBL12619034 0.82 SLC6A9 (0.48) SLC6A9KCNH2MKNK2RORCPTGDR2
SCHEMBL1796285 0.81 RORC (0.52) SLC6A9KCNH2MKNK2RORCAR
SCHEMBL12619038 0.81 NR3C1 (0.45) SLC6A9KCNH2MKNK2RORCPTGDR2
SCHEMBL12619036 0.81 AR (0.49) SLC6A9KCNH2MKNK2RORCAR
SCHEMBL15494754 0.81 SLC6A9 (0.41) SLC6A9KCNH2MKNK2RORCPTGDR2
SCHEMBL12619053 0.81 TRPV4 (0.43) SLC6A9KCNH2MKNK2PTGDR2AAK1
SCHEMBL12619040 0.78 SLC6A9 (0.42) SLC6A9KCNH2MKNK2RORCPTGDR2
SCHEMBL17731549 0.78 AR (0.47) ARNR3C1
SCHEMBL17731548 0.78 AR (0.47) ARNR3C1

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-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 EP disclosed
EP-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 EP disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP 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-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 SLC6A9 4176/4885KCNH2 3242/4885MKNK2 2595/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 SLC6A9 4176/4885KCNH2 3242/4885MKNK2 2595/4885

“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.