SCHEMBL9105674

SCHEMBL9105674

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.48
S1PR3 Q99500 7/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
S1PR2 O95136 1/20 0.42
TP53 P04637 1/20 0.41
FFAR1 O14842 1/20 0.40
PTPN1 P18031 1/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 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
SCHEMBL27938944 0.91 TP53 (0.47) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL9103709 0.87 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL9101236 0.84 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL9100456 0.84 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL9108003 0.82 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5
SCHEMBL16161674 0.82 TP53 (0.48) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL9107836 0.82 TP53 (0.44) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL28807635 0.81 PTPN1 (0.48) S1PR1S1PR3S1PR4S1PR5TP53
SCHEMBL16341589 0.80 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL9101572 0.79 FFAR1 (0.50) S1PR1S1PR3TP53FFAR1PTPN1

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-B1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP claimed
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-2646021-B1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN INC (US) 2014-11-05 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-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
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

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 2/4885S1PR3 1/4885S1PR4 5/4885

“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.