SCHEMBL12619035

SCHEMBL12619035

Cc1cc(C#N)ccc1OC(C)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.42
SLC6A9 P48067 6/20 0.42
KCNH2 Q12809 3/20 0.42
ICMT O60725 1/20 0.40
AR P10275 3/20 0.39
RORC P51449 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
LRRK2 Q5S007 1/20 0.38
NR3C1 P04150 2/20 0.36
NR3C2 P08235 2/20 0.36
PGR P06401 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL12619034 0.84 SLC6A9 (0.48) MKNK2SLC6A9KCNH2ICMTRORC
SCHEMBL12619036 0.83 AR (0.49) MKNK2SLC6A9KCNH2ICMTAR
SCHEMBL12619038 0.83 NR3C1 (0.45) MKNK2SLC6A9KCNH2RORCPTGDR2
SCHEMBL12619053 0.83 TRPV4 (0.43) MKNK2SLC6A9KCNH2MRGPRX4PTGDR2
SCHEMBL15494754 0.83 SLC6A9 (0.41) MKNK2SLC6A9KCNH2ARRORC
SCHEMBL1796285 0.83 RORC (0.52) MKNK2SLC6A9KCNH2ARRORC
SCHEMBL1796211 0.82 SLC6A9 (0.43) MKNK2SLC6A9KCNH2ARRORC
SCHEMBL10088433 0.82 AR (0.44) MKNK2SLC6A9KCNH2ICMTAR
SCHEMBL12619040 0.81 SLC6A9 (0.42) MKNK2SLC6A9KCNH2RORCPTGDR2
SCHEMBL16781415 0.80 AR (0.43) KCNH2ICMTARMRGPRX4PTGDR2

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 10 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
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-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
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 MKNK2 2595/4885SLC6A9 4176/4885KCNH2 3242/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 MKNK2 2595/4885SLC6A9 4176/4885KCNH2 3242/4885

“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.