SCHEMBL4949486

SCHEMBL4949486

O=C1c2ccccc2C(=O)N1Cc1ccc(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.66
S1PR5 Q9H228 13/20 0.66
S1PR4 O95977 12/20 0.66
S1PR3 Q99500 9/20 0.66
CHRM5 P08912 2/20 0.43
CASP3 P42574 1/20 0.43
GSTP1 P09211 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL4949657 0.82 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3GSTP1
SCHEMBL4951077 0.81 S1PR1 (0.62) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1372761 0.80 S1PR5 (1.00) S1PR1S1PR5S1PR4S1PR3
Ammonia Solution, Strong SCHEMBL4951074 0.79 S1PR1 (0.58) S1PR1S1PR5S1PR4S1PR3CASP3
SCHEMBL14302589 0.79 S1PR5 (0.78) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3821170 0.78 S1PR1 (0.59) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4287044 0.77 S1PR1 (0.72) S1PR1S1PR5S1PR4S1PR3
SCHEMBL6182824 0.76 S1PR5 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL6182826 0.75 S1PR5 (0.74) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1680623 0.75 CASP3 (0.61) S1PR5CASP3GSTP1

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 1/4885S1PR5 6/4885S1PR4 3/4885

“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.