SCHEMBL9100995

SCHEMBL9100995

Cc1cc(C)cc(C(Cc2ccc(C)c(C)c2)c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
S1PR1 P21453 6/20 0.46
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
FFAR1 O14842 3/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TPH1 P17752 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
SCHEMBL27938890 0.94 PTPN1 (0.49) PTPN1S1PR1HDAC1HDAC8FFAR1
SCHEMBL9105652 0.91 PTPN1 (0.47) PTPN1S1PR1HDAC1HDAC8FFAR1
SCHEMBL28805778 0.88 PTPN1 (0.47) PTPN1S1PR1HDAC1HDAC8FFAR1
SCHEMBL9103709 0.87 S1PR1 (0.55) PTPN1S1PR1FFAR1
SCHEMBL9100890 0.87 PTPN1 (0.48) PTPN1S1PR1FFAR1
SCHEMBL9104686 0.85 PTPN1 (0.46) PTPN1S1PR1HDAC1HDAC8FFAR1
SCHEMBL28807635 0.84 PTPN1 (0.48) PTPN1S1PR1HDAC1HDAC8FFAR1
SCHEMBL27938780 0.84 PTPN1 (0.48) PTPN1S1PR1HDAC1HDAC8FFAR1
SCHEMBL9104113 0.83 PTPN1 (0.47) PTPN1S1PR1TP53SMN1; SMN2
SCHEMBL27920264 0.81 PTPN1 (0.46) PTPN1S1PR1HDAC1HDAC8FFAR1

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 21 patents — showing the first 20. 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-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
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
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
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 2/4885HDAC1 1239/4885
US-20130303577-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 PTPN1 1043/4885S1PR1 2/4885HDAC1 1239/4885

“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.