SCHEMBL4946496

SCHEMBL4946496

CC(=O)c1ccccc1-c1ccc(-c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.51
S1PR3 Q99500 9/20 0.48
S1PR5 Q9H228 9/20 0.48
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14089859 0.89 S1PR1 (0.55) S1PR1S1PR3S1PR5MAPTTP53
SCHEMBL14089901 0.88 S1PR1 (0.53) S1PR1S1PR3S1PR5MEN1NPC1
SCHEMBL14089920 0.86 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL14089911 0.86 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL14089860 0.85 S1PR1 (0.51) S1PR1S1PR3S1PR5MAPTKDM4E
SCHEMBL14089907 0.83 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL14089864 0.83 S1PR1 (0.49) S1PR1S1PR3S1PR5MAPTKDM4E
SCHEMBL10283635 0.82 S1PR1 (0.64) S1PR1S1PR3S1PR5
SCHEMBL14089904 0.82 S1PR1 (0.53) S1PR1S1PR3S1PR5TP53
SCHEMBL14090005 0.82 S1PR1 (0.51) S1PR1S1PR3S1PR5MAPTNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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 (1 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR3 4/4885S1PR5 6/4885

“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.