SCHEMBL1796285

SCHEMBL1796285

CC(Oc1ccc(C#N)cc1Cl)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.52
AR P10275 2/20 0.48
NR3C1 P04150 3/20 0.45
SLC6A9 P48067 6/20 0.41
KCNH2 Q12809 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDE5A O76074 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
FFAR1 O14842 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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 0.83 MKNK2 (0.42) RORCARNR3C1SLC6A9KCNH2
SCHEMBL12619034 0.83 SLC6A9 (0.48) RORCNR3C1SLC6A9KCNH2PGR
SCHEMBL1963697 0.82 AR (0.54) RORCARNR3C1KCNH2MEN1
SCHEMBL12619053 0.82 TRPV4 (0.43) SLC6A9KCNH2MRGPRX4MKNK2
SCHEMBL12619036 0.82 AR (0.49) RORCARSLC6A9KCNH2MEN1
SCHEMBL15494754 0.82 SLC6A9 (0.41) RORCARNR3C1SLC6A9KCNH2
SCHEMBL12619038 0.82 NR3C1 (0.45) RORCNR3C1SLC6A9KCNH2FFAR1
SCHEMBL1796211 0.81 SLC6A9 (0.43) RORCARNR3C1SLC6A9KCNH2
SCHEMBL12619040 0.79 SLC6A9 (0.42) RORCNR3C1SLC6A9KCNH2MKNK2
SCHEMBL16336032 0.79 MKNK2 (0.40) RORCARNR3C1SLC6A9KCNH2

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 RORC 446/4885AR 743/4885NR3C1 318/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 RORC 446/4885AR 743/4885NR3C1 318/4885

“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.