SCHEMBL9104215

SCHEMBL9104215

CCCc1cccc(OC(c2cccc(Cl)c2)c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.46
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.39
PTPN1 P18031 2/20 0.39
SMPD1 P17405 1/20 0.39
ADRB3 P13945 5/20 0.39
MAPT P10636 1/20 0.37
HDAC1 Q13547 1/20 0.37
ADRB1 P08588 2/20 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
SCHEMBL9103434 0.95 FFAR1 (0.53) FFAR1S1PR1S1PR3PTPN1SMPD1
SCHEMBL9101504 0.90 FFAR1 (0.50) FFAR1S1PR1S1PR3PTPN1SMPD1
SCHEMBL9101572 0.88 FFAR1 (0.50) FFAR1S1PR1S1PR3PTPN1SMPD1
SCHEMBL9101236 0.88 S1PR1 (0.48) FFAR1S1PR1S1PR3PTPN1SMPD1
SCHEMBL9100530 0.82 FFAR1 (0.45) FFAR1S1PR1S1PR3PTPN1SMPD1
SCHEMBL9888455 0.79 FFAR1 (0.54) FFAR1S1PR1S1PR3PTPN1SMPD1
SCHEMBL9110187 0.78 MAPT (0.48) FFAR1S1PR1S1PR3PTPN1SMPD1
SCHEMBL9103709 0.78 S1PR1 (0.55) FFAR1S1PR1S1PR3PTPN1ADRB3
SCHEMBL28807635 0.78 PTPN1 (0.48) FFAR1S1PR1S1PR3PTPN1HDAC1
SCHEMBL27938944 0.77 TP53 (0.47) FFAR1S1PR1S1PR3PTPN1MAPT

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 5 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

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 FFAR1 25/4885S1PR1 2/4885S1PR3 1/4885

“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.