SCHEMBL14089908

SCHEMBL14089908

Cc1cc(-c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)ccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.51
S1PR5 Q9H228 7/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
S1PR3 Q99500 5/20 0.47
FFAR1 O14842 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
S1PR4 O95977 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL14089877 0.94 S1PR1 (0.47) S1PR1S1PR5NPC1RAB9AS1PR3
SCHEMBL14089910 0.91 S1PR1 (0.53) S1PR1S1PR5S1PR3FFAR1HDAC1
SCHEMBL14089904 0.89 S1PR1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL14089859 0.88 S1PR1 (0.55) S1PR1S1PR5S1PR3HDAC1HDAC8
SCHEMBL14089895 0.86 S1PR1 (0.51) S1PR1S1PR5S1PR3FFAR1HDAC1
SCHEMBL14089920 0.85 S1PR1 (0.55) S1PR1S1PR5S1PR3
SCHEMBL14089907 0.85 S1PR1 (0.56) S1PR1S1PR5S1PR3HDAC1HDAC8
SCHEMBL14089875 0.84 S1PR1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL14089860 0.83 S1PR1 (0.51) S1PR1S1PR5NPC1RAB9AS1PR3
SCHEMBL4954577 0.83 S1PR1 (0.51) S1PR1S1PR5S1PR3

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 2 patents. 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
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 1/4885S1PR5 6/4885NPC1 519/4885

“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.