SCHEMBL9101178

SCHEMBL9101178

Cc1ccc(CC(C(=O)O)c2cccc(Cl)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
S1PR1 P21453 2/20 0.48
ADRB3 P13945 7/20 0.44
ADRB2 P07550 2/20 0.44
CCKAR P32238 2/20 0.43
CTSB P07858 1/20 0.42
ADRB1 P08588 5/20 0.41
PSMB8 P28062 2/20 0.41
PSMB5 P28074 2/20 0.41
CCR2 P41597 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40

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
SCHEMBL9104383 0.89 S1PR1 (0.46) MEN1KMT2AS1PR1ADRB3ADRB2
SCHEMBL9109693 0.86 MEN1 (0.55) MEN1KMT2AS1PR1ADRB3ADRB2
SCHEMBL9104789 0.86 CTSB (0.44) CCKARCTSBPSMB8PSMB5
SCHEMBL9108574 0.86 CTSB (0.50) MEN1KMT2ACTSBPSMB8PSMB5
SCHEMBL14276998 0.86 CTSB (0.50) MEN1KMT2ACTSBPSMB8PSMB5
SCHEMBL15552555 0.86 MEN1 (0.60) MEN1KMT2AADRB3CCKARCTSB
SCHEMBL9110049 0.85 MEN1 (0.53) MEN1KMT2AADRB3CCKARCTSB
SCHEMBL9109224 0.85 CYP2C9 (0.50) MEN1KMT2ACCKARPSMB8PSMB5
SCHEMBL9107633 0.84 SLC1A1 (0.44) MEN1KMT2ACTSBPSMB8PSMB5
SCHEMBL9107752 0.84 PSMB8 (0.43) CTSBPSMB8PSMB5ITGB1ITGA4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150231158-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-08-20 US disclosed
EP-2646021-B1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P)RECEPTOR MODULATORS ALLERGAN INC (US) 2014-11-05 EP disclosed
EP-2646114-B1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
EP-2646018-B1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
EP-2646024-B1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
EP-2646027-B1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
US-20140213573-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-07-31 US disclosed
US-8729062-B2 Benzyl azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-05-20 US disclosed
US-20140128369-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-05-08 US disclosed
US-8697733-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-04-15 US disclosed
US-8497254-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-30 US disclosed
US-8492410-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-20130150411-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-8399492-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-03-19 US disclosed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
WO-2012074722-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142642-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142664-A1 NOVEL BENZYL AZETIDINE 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 (9 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 MEN1 3287/4885KMT2A 4457/4885S1PR1 2/4885
US-20130150411-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 3719/4885KMT2A 4068/4885S1PR1 1/4885
US-20150231158-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 3457/4885KMT2A 3559/4885S1PR1 1/4885
US-20120142664-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 MEN1 2529/4885KMT2A 3129/4885S1PR1 1/4885
US-20140213573-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 MEN1 2529/4885KMT2A 3129/4885S1PR1 1/4885
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 3719/4885KMT2A 4068/4885S1PR1 1/4885
US-20120142642-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 3457/4885KMT2A 3559/4885S1PR1 1/4885
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 MEN1 2523/4885KMT2A 2684/4885S1PR1 1/4885
US-20140128369-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 MEN1 2529/4885KMT2A 3129/4885S1PR1 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.