SCHEMBL4618115

SCHEMBL4618115

NS(=O)(=O)c1ccc(-c2noc(-c3ccc(F)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.67
CA9 Q16790 12/20 0.60
CA2 P00918 11/20 0.60
CA12 O43570 8/20 0.60
CA1 P00915 8/20 0.60
KIF11 P52732 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
SCHEMBL4618138 0.84 S1PR1 (0.70) S1PR1CA9CA2CA12CA1
SCHEMBL4618798 0.81 PTGS2 (0.67) S1PR1KIF11
SCHEMBL3274472 0.80 S1PR1 (0.51) S1PR1
SCHEMBL20615395 0.80 S1PR1 (1.00) S1PR1
SCHEMBL4930133 0.80 S1PR1 (0.69) S1PR1CA9CA2CA12CA1
SCHEMBL13417113 0.78 S1PR1 (0.75) S1PR1CA9CA2CA12CA1
SCHEMBL2809619 0.75 S1PR1 (0.67) S1PR1CA9CA2CA12CA1
SCHEMBL6733221 0.75 PTGS2 (0.65) KIF11
SCHEMBL20968251 0.75 CA9 (0.63) S1PR1CA9CA2CA12CA1
SCHEMBL3562617 0.74 S1PR1 (0.57) S1PR1CA9CA2CA12CA1

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-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 US disclosed
EP-1893591-A1 POLYCYCLIC OXADIAZOLES OR I SOXAZOLES AND THEIR USE AS SlP RECEPTOR LIGANDS Novartis AG (CH) 2008-03-05 EP disclosed
WO-2006131336-A1 POLYCYCLIC OXADIAZOLES OR I SOXAZOLES AND THEIR USE AS SlP RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-12-14 WO 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-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands SOX18, SIGMAR1, SUCNR1 S1PR1 13/4885CA9 2327/4885CA2 1053/4885

“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.