SCHEMBL9103629

SCHEMBL9103629

Cc1ccc(CC(c2cccc(F)c2)c2nc(-c3ccc(CNCCCP(=O)(O)O)cc3)no2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.49
S1PR3 Q99500 9/20 0.49
S1PR2 O95136 6/20 0.49
LPAR2 Q9HBW0 6/20 0.49
PTPN1 P18031 6/20 0.43
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL9106624 0.93 S1PR1 (0.55) S1PR1S1PR3S1PR2LPAR2PTPN1
SCHEMBL9103441 0.91 S1PR1 (0.57) S1PR1S1PR3S1PR2LPAR2PTPN1
SCHEMBL9100890 0.87 PTPN1 (0.48) S1PR1PTPN1
SCHEMBL9912337 0.86 PTPN1 (0.44) S1PR1S1PR3PTPN1ADRB2ADRB1
SCHEMBL15378312 0.82 PTPN1 (0.48) S1PR1S1PR3PTPN1
SCHEMBL9909369 0.81 S1PR1 (0.57) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL9105652 0.80 PTPN1 (0.47) S1PR1PTPN1
SCHEMBL27938780 0.79 PTPN1 (0.48) S1PR1PTPN1
SCHEMBL9909345 0.78 S1PR1 (0.52) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL27920426 0.78 PTPN1 (0.44) S1PR1S1PR3PTPN1ADRB2ADRB1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846728-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-09-30 US claimed
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-11-14 US claimed
EP-2646021-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
US-8497254-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-30 US claimed
WO-2012074730-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
EP-2646021-B1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN INC (US) 2014-11-05 EP disclosed
US-8846728-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-09-30 US disclosed
US-8846728-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-09-30 US disclosed
US-8846728-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-09-30 US disclosed
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-11-14 US disclosed
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-11-14 US disclosed
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-11-14 US disclosed
US-8497254-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-30 US disclosed
US-8497254-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-30 US disclosed
WO-2012074730-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
WO-2012074730-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR3 1/4885S1PR2 3/4885
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR3 1/4885S1PR2 3/4885

“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.