SCHEMBL4618798

SCHEMBL4618798

NS(=O)(=O)c1ccc(-c2cc(-c3ccc(F)c(C(F)(F)F)c3)on2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.67
KIF11 P52732 2/20 0.51
S1PR1 P21453 3/20 0.45
PTGS1 P23219 4/20 0.44
MPL P40238 3/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4619458 0.90 PTGS2 (0.55) PTGS2KIF11S1PR1PTGS1MPL
SCHEMBL4931412 0.83 S1PR1 (0.58) PTGS2KIF11S1PR1PTGS1
SCHEMBL4618115 0.81 S1PR1 (0.67) KIF11S1PR1
SCHEMBL6733221 0.75 PTGS2 (0.65) PTGS2KIF11PTGS1
SCHEMBL6728375 0.74 KIF11 (0.58) PTGS2KIF11PTGS1
SCHEMBL6728905 0.74 PTGS2 (0.66) PTGS2KIF11PTGS1
SCHEMBL29793217 0.73 KIF11 (0.60) PTGS2KIF11PTGS1
SCHEMBL1497086 0.73 KIF11 (0.60) PTGS2KIF11PTGS1
SCHEMBL4617666 0.73 PTGS2 (0.54) PTGS2S1PR1TP53NPC1RAB9A
SCHEMBL8651421 0.72 PTGS2 (0.81) PTGS2KIF11PTGS1

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 PTGS2 1915/4885KIF11 4099/4885S1PR1 13/4885

“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.