SCHEMBL4617982

SCHEMBL4617982

CC(NS(=O)(=O)c1ccc(-c2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)on2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.52
MMP2 P08253 9/20 0.49
MMP9 P14780 8/20 0.49
MMP12 P39900 3/20 0.49
MMP8 P22894 2/20 0.49
PTGS2 P35354 2/20 0.47
MMP13 P45452 7/20 0.45
MMP1 P03956 6/20 0.45
MMP3 P08254 6/20 0.45
MMP7 P09237 4/20 0.45
MMP14 P50281 2/20 0.41
ADAM17 P78536 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
GSK3B P49841 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39
RORC P51449 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
SCHEMBL4926895 1.00 ADAMTS4 (0.52) ADAMTS4MMP2MMP9MMP12MMP8
SCHEMBL4934557 1.00 ADAMTS4 (0.52) ADAMTS4MMP2MMP9MMP12MMP8
SCHEMBL4617985 0.82 S1PR1 (0.45) MMP2MMP9PTGS2MMP3S1PR1
SCHEMBL4617666 0.81 PTGS2 (0.54) MMP2PTGS2MMP3S1PR1S1PR3
SCHEMBL4923643 0.80 PTGS2 (0.45) MMP2MMP9PTGS2MMP3S1PR1
SCHEMBL13037379 0.79 MMP2 (0.60) ADAMTS4MMP2MMP9MMP12MMP8
SCHEMBL4618310 0.76 NPC1 (0.53) PTGS2S1PR1S1PR3
SCHEMBL4619710 0.75 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL4618874 0.75 S1PR1 (0.52) PTGS2S1PR1S1PR3
SCHEMBL4618489 0.74 AKR1C3 (0.48) PTGS2S1PR1S1PR3

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 ADAMTS4 4807/4885MMP2 3980/4885MMP9 4225/4885

“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.