SCHEMBL4617792

SCHEMBL4617792

CCc1cc(-c2noc(-c3ccc(C4CCCCC4)c(C(F)(F)F)c3)n2)ccc1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.44
PTGS2 P35354 3/20 0.42
PTGS1 P23219 1/20 0.42
NOTUM Q6P988 3/20 0.41
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4619925 0.80 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL29151626 0.78 S1PR1 (0.51) S1PR1NOTUMS1PR4S1PR3S1PR5
SCHEMBL4619354 0.78 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL29151634 0.77 S1PR1 (0.58) S1PR1S1PR4S1PR3S1PR5
SCHEMBL29151616 0.76 S1PR1 (0.47) S1PR1NOTUMS1PR4S1PR3S1PR5
SCHEMBL29151637 0.73 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5
SCHEMBL29151651 0.73 S1PR1 (0.58) S1PR1S1PR4S1PR3S1PR5
SCHEMBL29151646 0.72 S1PR1 (0.58) S1PR1S1PR4S1PR3S1PR5
SCHEMBL29151621 0.72 S1PR1 (0.53) S1PR1S1PR4S1PR3S1PR5
SCHEMBL29151622 0.71 S1PR1 (0.60) S1PR1S1PR4S1PR3S1PR5

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 5 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
US-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 US disclosed
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 13/4885PTGS2 1915/4885PTGS1 1198/4885

“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.