SCHEMBL9101175

SCHEMBL9101175

Cc1ccc(CC(c2cccc(Cl)c2)c2nc(-c3ccc(C(=O)NCCC(=O)O)cc3)no2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.43
DGAT1 O75907 1/20 0.42
GCGR P47871 9/20 0.42
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY7 P51828 1/20 0.41
ADCY2 Q08462 1/20 0.41
ADCY1 Q08828 1/20 0.41
ADCY4 Q8NFM4 1/20 0.41
GCG P01275 3/20 0.41
FFAR1 O14842 1/20 0.41
GIPR P48546 3/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9103709 0.90 S1PR1 (0.55) PTPN1S1PR1S1PR3FFAR1
SCHEMBL27938775 0.90 PTPN1 (0.44) PTPN1S1PR1S1PR3DGAT1GCGR
Beta-Alanine SCHEMBL9100548 0.83 PTPN1 (0.46) PTPN1S1PR1S1PR3FFAR1TP53
SCHEMBL28807635 0.82 PTPN1 (0.48) PTPN1S1PR1S1PR3FFAR1TP53
SCHEMBL9103408 0.81 PTPN1 (0.48) PTPN1S1PR1S1PR3FFAR1TP53
SCHEMBL9913930 0.81 PTPN1 (0.44) PTPN1S1PR1S1PR3
SCHEMBL9103441 0.81 S1PR1 (0.57) PTPN1S1PR1S1PR3
SCHEMBL9280647 0.81 PTPN1 (0.44) PTPN1S1PR1S1PR3TP53MAPT
SCHEMBL9102874 0.81 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL9100890 0.80 PTPN1 (0.48) PTPN1S1PR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846728-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-09-30 US claimed
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-11-14 US claimed
EP-2646021-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
US-8497254-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-30 US claimed
WO-2012074730-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-20120142639-A1 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-2646021-B1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN INC (US) 2014-11-05 EP disclosed
US-8846728-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-09-30 US disclosed
US-8846728-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-09-30 US disclosed
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-11-14 US disclosed
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-11-14 US disclosed
EP-2646021-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8497254-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-30 US disclosed
US-8497254-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-30 US disclosed
WO-2012074730-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142639-A1 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 (2 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-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 PTPN1 1043/4885S1PR1 2/4885S1PR3 1/4885
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 PTPN1 1043/4885S1PR1 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.