SCHEMBL9888461

SCHEMBL9888461

Cc1ccc(OC(c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)c2ccccc2Cl)cc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 3/20 0.40
PTPN1 P18031 1/20 0.39
TP53 P04637 1/20 0.39
ACACB O00763 5/20 0.38
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
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
SCHEMBL9102533 0.92 S1PR1 (0.44) FFAR1S1PR1S1PR3PTPN1S1PR5
SCHEMBL9100530 0.89 FFAR1 (0.45) FFAR1S1PR1S1PR3PTPN1ACACB
SCHEMBL9888455 0.87 FFAR1 (0.54) FFAR1S1PR1S1PR3PTPN1TP53
SCHEMBL9101236 0.87 S1PR1 (0.48) FFAR1S1PR1S1PR3PTPN1S1PR5
SCHEMBL9105632 0.85 S1PR1 (0.41) FFAR1S1PR1S1PR3PTPN1TP53
SCHEMBL9109548 0.81 S1PR3 (0.39) FFAR1S1PR3TP53ACACBPPARD
SCHEMBL9110358 0.81 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL9101572 0.79 FFAR1 (0.50) FFAR1S1PR1S1PR3PTPN1TP53
SCHEMBL9101504 0.78 FFAR1 (0.50) FFAR1S1PR1S1PR3PTPN1PPARD
SCHEMBL9103434 0.77 FFAR1 (0.53) FFAR1S1PR1S1PR3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 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.