SCHEMBL15633795

SCHEMBL15633795

O=P(O)(O)CCCNCc1ccc(-c2noc(CCCCc3ccccc3)n2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 14/20 0.58
S1PR1 P21453 10/20 0.58
S1PR2 O95136 9/20 0.58
LPAR2 Q9HBW0 5/20 0.58
S1PR4 O95977 4/20 0.48
S1PR5 Q9H228 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL15633485 0.89 S1PR3 (0.58) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL15633496 0.85 S1PR3 (0.54) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL15633592 0.85 S1PR3 (0.78) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL15634454 0.84 S1PR3 (0.55) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL15633313 0.84 S1PR3 (0.80) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL15706891 0.83 SMN1; SMN2 (0.39) S1PR3S1PR1S1PR2LPAR2SMN1; SMN2
SCHEMBL15671604 0.83 L3MBTL1 (0.39) S1PR3S1PR1S1PR2LPAR2SMN1; SMN2
SCHEMBL15633314 0.83 S1PR3 (0.75) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL16011021 0.79 S1PR1 (0.63) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL15633629 0.79 L3MBTL1 (0.48) S1PR3S1PR1SMN1; SMN2TSHRMAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US claimed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 US claimed
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-04-10 US claimed
WO-2014055916-A1 SUBSTITUTED ARYL-1,2,4-OXADIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF INTERALIA OCULAR OR INFLAMMATORY DISEASES ALLERGAN, INC. (US) 2014-04-10 WO claimed
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 US disclosed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 US disclosed
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-04-10 US disclosed
WO-2014055916-A1 SUBSTITUTED ARYL-1,2,4-OXADIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF INTERALIA OCULAR OR INFLAMMATORY DISEASES ALLERGAN, INC. (US) 2014-04-10 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 (2 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-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 S1PR3 1/4885S1PR1 2/4885S1PR2 4/4885
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 S1PR3 1/4885S1PR1 2/4885S1PR2 4/4885

“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.