SCHEMBL3062575

SCHEMBL3062575

CCC(C(=O)O)N1CCc2c(ccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c2C)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.62
S1PR5 Q9H228 3/20 0.62
CYP2C9 P11712 2/20 0.62
KCNH2 Q12809 2/20 0.62
CYP3A4 P08684 1/20 0.62
S1PR3 Q99500 7/20 0.56
MAP4K4 O95819 1/20 0.49
MINK1 Q8N4C8 1/20 0.49

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
SCHEMBL2121790 0.92 S1PR1 (0.63) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL2121831 0.90 S1PR1 (0.78) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL12852192 0.86 S1PR1 (0.59) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL2121251 0.86 S1PR1 (0.74) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL3062031 0.85 S1PR1 (0.81) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL12852184 0.84 S1PR1 (0.63) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL2125536 0.84 S1PR1 (0.58) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL2602052 0.83 S1PR1 (0.66) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL3062837 0.83 S1PR1 (0.69) S1PR1S1PR5CYP2C9KCNH2CYP3A4
SCHEMBL2134294 0.82 S1PR1 (0.56) S1PR1S1PR5CYP2C9KCNH2CYP3A4

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-8278324-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 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 (2 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-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR5 5/4885CYP2C9 3281/4885
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR5 5/4885CYP2C9 3248/4885

“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.