SCHEMBL15633485

SCHEMBL15633485

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 14/20 0.58
S1PR2 O95136 10/20 0.58
S1PR1 P21453 10/20 0.58
LPAR2 Q9HBW0 6/20 0.58
S1PR4 O95977 4/20 0.48
S1PR5 Q9H228 1/20 0.45
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 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
SMN1; SMN2 Q16637 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
SCHEMBL15633795 0.89 S1PR3 (0.58) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL15633496 0.85 S1PR3 (0.54) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL15633592 0.85 S1PR3 (0.78) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL15634454 0.84 S1PR3 (0.55) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL15633313 0.84 S1PR3 (0.80) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL15706861 0.83 S1PR2 (0.39) S1PR3S1PR2S1PR1LPAR2HDAC1
SCHEMBL15637872 0.83 L3MBTL1 (0.39) S1PR3S1PR2S1PR1LPAR2HDAC1
SCHEMBL15633314 0.83 S1PR3 (0.75) S1PR3S1PR2S1PR1LPAR2S1PR4
SCHEMBL15633627 0.79 NPC1 (0.48) HDAC1HDAC8ATMTDP1L3MBTL1
SCHEMBL15635034 0.79 S1PR3 (0.50) S1PR3S1PR2S1PR1LPAR2S1PR4

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 9 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

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 1/4885S1PR2 4/4885S1PR1 2/4885
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 S1PR3 1/4885S1PR2 4/4885S1PR1 2/4885

“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.