SCHEMBL3752329

SCHEMBL3752329

CCCCOC(=O)CC1c2ccc(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)c(C)c2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.53
S1PR5 Q9H228 4/20 0.53
S1PR3 Q99500 3/20 0.52
KCNH2 Q12809 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL3755317 0.92 S1PR1 (0.48) S1PR1S1PR5S1PR3KCNH2CYP3A4
SCHEMBL13786397 0.92 S1PR1 (0.42) S1PR1S1PR5S1PR3KCNH2CYP3A4
SCHEMBL3758679 0.90 S1PR1 (0.61) S1PR1S1PR5S1PR3KCNH2CYP3A4
SCHEMBL3757708 0.89 S1PR1 (0.55) S1PR1S1PR5S1PR3KCNH2CYP3A4
SCHEMBL3658685 0.86 S1PR1 (0.61) S1PR1S1PR5S1PR3KCNH2CYP3A4
SCHEMBL2908861 0.82 S1PR1 (0.55) S1PR1S1PR3KCNH2
SCHEMBL3750162 0.81 S1PR1 (0.56) S1PR1S1PR5S1PR3CYP2C9
SCHEMBL3749885 0.80 S1PR1 (0.49) S1PR1S1PR5S1PR3KCNH2CYP3A4
SCHEMBL2123484 0.79 S1PR1 (0.63) S1PR1S1PR5S1PR3KCNH2CYP3A4
SCHEMBL3753873 0.79 NOD2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 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-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR5 6/4885S1PR3 1/4885

“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.