SCHEMBL9102533

SCHEMBL9102533

COc1ccc(OC(c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)c2ccccc2Cl)cc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.44
FFAR1 O14842 4/20 0.44
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.40
THRB P10828 1/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR5 Q9H228 2/20 0.39
CTSA P10619 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL9888461 0.92 FFAR1 (0.46) S1PR1FFAR1PTPN1S1PR3S1PR5
SCHEMBL9100530 0.86 FFAR1 (0.45) S1PR1FFAR1MAPTKDM4ESMN1; SMN2
SCHEMBL16161649 0.82 TSHR (0.40) KMT2AMAPTKDM4EMEN1SMN1; SMN2
SCHEMBL9888455 0.80 FFAR1 (0.54) S1PR1FFAR1KMT2AMEN1SMN1; SMN2
SCHEMBL9101236 0.79 S1PR1 (0.48) S1PR1FFAR1PTPN1S1PR3S1PR5
SCHEMBL9105632 0.78 S1PR1 (0.41) S1PR1FFAR1MAPTSMN1; SMN2PTPN1
SCHEMBL9101572 0.77 FFAR1 (0.50) S1PR1FFAR1MAPTSMN1; SMN2PTPN1
SCHEMBL9101504 0.75 FFAR1 (0.50) S1PR1FFAR1MAPTSMN1; SMN2PTPN1
SCHEMBL9103434 0.74 FFAR1 (0.53) S1PR1FFAR1MAPTPTPN1S1PR3
SCHEMBL9110358 0.74 S1PR1 (0.57) S1PR1S1PR3S1PR5

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 13 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
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
EP-2646022-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP 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
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

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 25/4885KMT2A 4083/4885

“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.