SCHEMBL4923643

SCHEMBL4923643

NC(=O)CCNS(=O)(=O)c1ccc(-c2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)on2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
TDO2 P48775 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP3 P08254 1/20 0.40
IKBKB O14920 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
S1PR1 P21453 5/20 0.39
IDH2 P48735 4/20 0.39
S1PR3 Q99500 3/20 0.39
RORC P51449 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
SCHEMBL4617985 0.93 S1PR1 (0.45) PTGS2MMP2MMP9CYP1A2CYP3A4
SCHEMBL4618867 0.83 S1PR1 (0.45) MMP2MMP9TDO2IKBKBS1PR1
SCHEMBL4934557 0.80 ADAMTS4 (0.52) PTGS2MMP2MMP9MMP3S1PR1
SCHEMBL4926895 0.80 ADAMTS4 (0.52) PTGS2MMP2MMP9MMP3S1PR1
SCHEMBL4617982 0.80 ADAMTS4 (0.52) PTGS2MMP2MMP9MMP3S1PR1
SCHEMBL4617666 0.80 PTGS2 (0.54) PTGS2MMP2CYP1A2CYP2C19MMP3
SCHEMBL27703153 0.79 TDO2 (0.44) MMP2MMP9TDO2MMP3IKBKB
SCHEMBL3091280 0.79 S1PR1 (0.53) MMP2MMP9HDAC4HDAC6S1PR1
SCHEMBL3093188 0.78 S1PR1 (0.42) PTGS2MMP2CYP1A2CYP3A4CYP2D6
SCHEMBL3089144 0.76 S1PR1 (0.50) MAPTHDAC4HDAC6S1PR1S1PR3

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
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

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 1915/4885MMP2 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.