SCHEMBL9101973

SCHEMBL9101973

Cc1ccc(OC(c2cccc(Cl)c2)c2nc(-c3ccc(CN(CCC(=O)O)C(=O)OC(C)(C)C)cc3)no2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
PTPN1 P18031 2/20 0.37
TP53 P04637 3/20 0.36
S1PR3 Q99500 3/20 0.36
SMPD1 P17405 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9886535 0.94 FFAR1 (0.38) FFAR1PTPN1TP53S1PR3SMPD1
SCHEMBL9101236 0.82 S1PR1 (0.48) FFAR1PTPN1S1PR3SMPD1
SCHEMBL9109266 0.76 S1PR1 (0.55) S1PR3
SCHEMBL9101572 0.76 FFAR1 (0.50) FFAR1PTPN1TP53S1PR3SMPD1
SCHEMBL9111156 0.75 S1PR3 (0.38) FFAR1PTPN1TP53S1PR3MAPT
SCHEMBL9101504 0.74 FFAR1 (0.50) FFAR1PTPN1S1PR3SMPD1MAPT
SCHEMBL9888455 0.74 FFAR1 (0.54) FFAR1PTPN1TP53S1PR3SMPD1
SCHEMBL9103434 0.73 FFAR1 (0.53) FFAR1PTPN1S1PR3SMPD1MAPT
SCHEMBL9104215 0.71 FFAR1 (0.46) FFAR1PTPN1S1PR3SMPD1MAPT
SCHEMBL9103709 0.70 S1PR1 (0.55) FFAR1PTPN1S1PR3

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-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
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 25/4885PTPN1 594/4885TP53 4755/4885

“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.