SCHEMBL3203770

SCHEMBL3203770

CC(C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)NCCO)no2)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.58
S1PR3 Q99500 6/20 0.49
S1PR5 Q9H228 6/20 0.49
CYP2C9 P11712 1/20 0.45
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
ERBB2 P04626 1/20 0.43
PIM1 P11309 1/20 0.43
MARK3 P27448 1/20 0.43
PLK1 P53350 1/20 0.43
CAMK2B Q13554 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
PIM3 Q86V86 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
S1PR2 O95136 2/20 0.43
S1PR4 O95977 2/20 0.43

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
SCHEMBL3196593 0.94 S1PR1 (0.51) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL12619433 0.92 S1PR1 (0.50) S1PR1S1PR3S1PR5
SCHEMBL1799522 0.88 S1PR1 (0.61) S1PR1S1PR3S1PR5CYP2C9DYRK3
SCHEMBL12653278 0.88 S1PR1 (0.51) S1PR1S1PR3S1PR5DYRK3MAP4K4
SCHEMBL12619441 0.88 S1PR1 (0.49) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL3207689 0.86 S1PR1 (0.51) S1PR1S1PR3S1PR5CYP2C9S1PR2
SCHEMBL23631594 0.86 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL12619426 0.86 S1PR1 (0.50) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL12619078 0.86 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL12619423 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR5CYP2C9

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 13 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 claimed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US claimed
CN-101415702-A Heterocyclic compounds ASTELLAS PHARMA INC (JP) 2009-04-22 CN claimed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US claimed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP claimed
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

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 S1PR1 1/4885S1PR3 7/4885S1PR5 4/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 S1PR1 1/4885S1PR3 7/4885S1PR5 4/4885

“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.