SCHEMBL14089901

SCHEMBL14089901

Cc1cc(-c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)ccc1-c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.53
S1PR3 Q99500 5/20 0.50
S1PR5 Q9H228 5/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
KMT2A Q03164 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOA P21397 1/20 0.43
BLVRB P30043 1/20 0.43
HDAC6 Q9UBN7 1/20 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
SCHEMBL14089864 0.93 S1PR1 (0.49) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL14089959 0.90 S1PR1 (0.53) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL14089859 0.90 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL14089920 0.89 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL4946496 0.88 S1PR1 (0.51) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL14089907 0.88 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL14089879 0.88 S1PR1 (0.54) S1PR1S1PR5NPC1RAB9AMEN1
SCHEMBL14089941 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL14089924 0.87 S1PR1 (0.67) S1PR1S1PR3S1PR5NPC1RAB9A
SCHEMBL14089911 0.87 S1PR1 (0.62) S1PR1S1PR3S1PR5

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 1/4885S1PR3 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.