SCHEMBL2936110

SCHEMBL2936110

CCc1cc(C(=O)O)ccc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
PTPRC P08575 2/20 0.46
PTGER1 P34995 1/20 0.46
SRD5A2 P31213 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A1 P18405 1/20 0.44
PLEC Q15149 1/20 0.43
MAOA P21397 1/20 0.43
BLVRB P30043 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RARB P10826 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CSNK2A2 P19784 1/20 0.41

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
SCHEMBL408762 0.85 PTGER1 (0.48) TTRPTPRCPTGER1SRD5A2POLB
SCHEMBL717095 0.85 ALDH1A1 (0.54) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL5728663 0.83 TTR (0.56) TTRPTPRCPTGER1SRD5A2POLB
SCHEMBL12388484 0.81 TTR (0.50) TTRPTPRCPTGER1SRD5A2POLB
SCHEMBL2635961 0.80 BCL2 (0.50) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL2313544 0.79 TTR (0.51) TTRPTPRCPTGER1SRD5A2POLB
SCHEMBL12388490 0.78 KDM4C (0.48) TTRPTPRCPTGER1SRD5A2POLB
SCHEMBL3684044 0.78 MRGPRX4 (0.51) POLBKMT2APLECRARBALDH1A1
SCHEMBL29759273 0.78 MRGPRX4 (0.51) POLBKMT2APLECRARBALDH1A1
SCHEMBL14089938 0.78 ALDH1A1 (0.45) TTRPTPRCSRD5A2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-2091950-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 TTR 2005/4885PTPRC 2153/4885PTGER1 93/4885
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 TTR 4501/4885PTPRC 2293/4885PTGER1 42/4885

“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.