SCHEMBL12619441

SCHEMBL12619441

C[C@H](Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)NCCN)no2)cc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.49
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 5/20 0.44
CYP2C9 P11712 1/20 0.39

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
SCHEMBL12653278 0.93 S1PR1 (0.51) S1PR1S1PR3S1PR5
SCHEMBL12619078 0.91 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL12619426 0.91 S1PR1 (0.50) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL23631594 0.91 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL12619365 0.91 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL12619423 0.91 S1PR1 (0.47) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL12619059 0.90 S1PR1 (0.47) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL3208927 0.89 S1PR1 (0.54) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL4523048 0.89 S1PR1 (0.54) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.