SCHEMBL5477129

SCHEMBL5477129

CCCCCCCCc1ccc(CCC(CC(=O)OC)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.45
S1PR1 P21453 3/20 0.45
CTSK P43235 10/20 0.45
S1PR3 Q99500 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
CTSS P25774 1/20 0.41
REN P00797 1/20 0.40
S1PR4 O95977 1/20 0.40

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
SCHEMBL5448071 0.90 S1PR1 (0.55) S1PR2S1PR1CTSKS1PR3CTSS
SCHEMBL5479821 0.87 CTSK (0.47) S1PR2S1PR1CTSKS1PR3SPHK1
SCHEMBL5478873 0.86 CTSK (0.47) S1PR2S1PR1CTSKS1PR3SPHK1
SCHEMBL5443688 0.86 SPHK1 (0.51) S1PR2S1PR1CTSKS1PR3SPHK1
SCHEMBL5450334 0.85 CTSK (0.46) S1PR2S1PR1CTSKS1PR3SPHK1
SCHEMBL13636738 0.84 CTSK (0.56) CTSKCTSSREN
SCHEMBL5458401 0.84 CTSK (0.47) S1PR2S1PR1CTSKS1PR3SPHK1
SCHEMBL5479337 0.84 S1PR1 (0.56) S1PR2S1PR1CTSKS1PR3CTSS
SCHEMBL5458404 0.84 CTSK (0.47) S1PR2S1PR1CTSKS1PR3SPHK1
SCHEMBL5464125 0.84 CTSK (0.47) S1PR2S1PR1CTSKS1PR3SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070224263-A1 Aminoalkylphosphonates and related compounds as Edg receptor agonists DOHERTY GEORGE A 2007-09-27 US disclosed
US-20060089334-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists MERCK & CO., INC. 2006-04-27 US disclosed
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists DOHERTY GEORGE A (US) 2005-05-19 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 (3 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-20060089334-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists ADGRF1, EDNRA, ADGRE5 S1PR2 165/4885S1PR1 71/4885CTSK 2584/4885
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists EDNRA, ADGRE5, ADGRF1 S1PR2 147/4885S1PR1 90/4885CTSK 2625/4885
US-20070224263-A1 Aminoalkylphosphonates and related compounds as Edg receptor agonists ADGRE5, EDNRA, ADGRF1 S1PR2 169/4885S1PR1 144/4885CTSK 2374/4885

“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.