SCHEMBL2934640

SCHEMBL2934640

CCc1cc(-c2nc(-c3ccc(Cn4ccc(C(=O)OC)n4)cc3)no2)ccc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.47
S1PR3 Q99500 2/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR5 Q9H228 1/20 0.38
TPH1 P17752 2/20 0.38
SMPD1 P17405 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
SCHEMBL2934418 0.91 S1PR1 (0.49) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL2926950 0.90 KMT2A (0.46) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL2936156 0.89 S1PR1 (0.44) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL2932361 0.89 S1PR1 (0.49) S1PR1S1PR3NPC1RAB9AS1PR5
SCHEMBL2934421 0.85 S1PR1 (0.47) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL2934961 0.81 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5TPH1
SCHEMBL2931854 0.81 S1PR1 (0.47) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL2936134 0.79 S1PR1 (0.47) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL2935081 0.79 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL2928814 0.78 S1PR1 (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-2091950-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885NPC1 284/4885

“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.