SCHEMBL2123732

SCHEMBL2123732

CCC(Oc1ccc(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)c2ccoc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.56
S1PR3 Q99500 1/20 0.56
S1PR5 Q9H228 1/20 0.56
MAP4K4 O95819 1/20 0.50
MINK1 Q8N4C8 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL2123266 0.94 S1PR1 (0.57) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2123195 0.89 S1PR1 (0.55) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL2122272 0.86 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL2122572 0.85 S1PR1 (0.63) S1PR1S1PR3S1PR5
SCHEMBL2133968 0.83 S1PR1 (0.68) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2133508 0.83 S1PR1 (0.59) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL10104236 0.83 S1PR1 (0.55) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2121775 0.83 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL2121999 0.83 S1PR1 (0.57) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL13003735 0.82 S1PR1 (0.52) S1PR1S1PR3S1PR5MAP4K4MINK1

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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443111-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-04-25 EP 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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 5/4885

“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.