SCHEMBL9101236

SCHEMBL9101236

Cc1ccc(OC(c2cccc(Cl)c2)c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.48
FFAR1 O14842 5/20 0.47
PTPN1 P18031 3/20 0.42
S1PR3 Q99500 4/20 0.40
SMPD1 P17405 1/20 0.38
ADRB3 P13945 2/20 0.38
ADRB1 P08588 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL9101572 0.93 FFAR1 (0.50) S1PR1FFAR1PTPN1S1PR3SMPD1
SCHEMBL9101504 0.91 FFAR1 (0.50) S1PR1FFAR1PTPN1S1PR3SMPD1
SCHEMBL9888455 0.91 FFAR1 (0.54) S1PR1FFAR1PTPN1S1PR3SMPD1
SCHEMBL9103434 0.90 FFAR1 (0.53) S1PR1FFAR1PTPN1S1PR3SMPD1
SCHEMBL9104215 0.88 FFAR1 (0.46) S1PR1FFAR1PTPN1S1PR3SMPD1
SCHEMBL9103709 0.87 S1PR1 (0.55) S1PR1FFAR1PTPN1S1PR3ADRB3
SCHEMBL9888461 0.87 FFAR1 (0.46) S1PR1FFAR1PTPN1S1PR3S1PR5
SCHEMBL9105674 0.84 S1PR1 (0.48) S1PR1FFAR1PTPN1S1PR3ADRB3
SCHEMBL9100456 0.84 S1PR1 (0.48) S1PR1FFAR1PTPN1S1PR3ADRB3
SCHEMBL9101973 0.82 FFAR1 (0.43) FFAR1PTPN1S1PR3SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646022-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
CN-103338765-A Novel phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN INC 2013-10-02 CN claimed
US-8486918-B2 Phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor ALLERGAN, INC. (US) 2013-07-16 US claimed
WO-2012074732-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-20120142745-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
EP-2646022-B1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
EP-2646022-B1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
CN-103338765-A Novel phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN INC 2013-10-02 CN disclosed
US-8486918-B2 Phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor ALLERGAN, INC. (US) 2013-07-16 US disclosed
US-8486918-B2 Phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor ALLERGAN, INC. (US) 2013-07-16 US disclosed
US-8486918-B2 Phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor ALLERGAN, INC. (US) 2013-07-16 US disclosed
WO-2012074732-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142745-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142745-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142745-A1 NOVEL PHENYL 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 (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-20120142745-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 S1PR1 2/4885FFAR1 25/4885PTPN1 594/4885

“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.