SCHEMBL4617232

SCHEMBL4617232

Nc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.78
S1PR3 Q99500 4/20 0.78
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
GPR55 Q9Y2T6 1/20 0.48

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
SCHEMBL3082641 0.95 S1PR1 (0.73) S1PR1S1PR3BCHEACHENR1H4
SCHEMBL13417221 0.88 S1PR1 (1.00) S1PR1S1PR3ALDH1A1TP53SMN1; SMN2
SCHEMBL13417080 0.88 S1PR1 (0.78) S1PR1S1PR3KDM4EMEN1ALDH1A1
SCHEMBL3813299 0.86 S1PR1 (0.76) S1PR1S1PR3KDM4EMEN1ALDH1A1
SCHEMBL4618138 0.85 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL13417223 0.85 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL16592606 0.83 S1PR1 (0.58) S1PR1S1PR3ALDH1A1TP53SMN1; SMN2
SCHEMBL13417068 0.83 S1PR1 (1.00) S1PR1S1PR3KDM4EALDH1A1TP53
SCHEMBL13416533 0.82 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL14926463 0.81 S1PR1 (0.76) S1PR1S1PR3

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 13/4885S1PR3 22/4885KDM4E 3417/4885

“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.