SCHEMBL3752376

SCHEMBL3752376

Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCNC2CC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.68
S1PR3 Q99500 5/20 0.68
S1PR5 Q9H228 3/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL3758470 0.92 S1PR1 (0.61) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL3659373 0.91 S1PR1 (0.67) S1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL3752372 0.91 S1PR1 (0.78) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL3750748 0.89 S1PR1 (0.85) S1PR1S1PR3S1PR5CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL3758465 0.85 S1PR1 (0.66) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL3662417 0.84 S1PR1 (0.71) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL3747688 0.83 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL2121878 0.81 S1PR1 (0.63) S1PR1S1PR3S1PR5CYP3A4CYP2C9
SCHEMBL12312121 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR5
SCHEMBL3754465 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR5

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-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

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 2/4885S1PR3 1/4885S1PR5 6/4885

“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.