SCHEMBL536003

SCHEMBL536003

O=C(O)c1ccc(-c2ccccc2)c(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
EGFR P00533 1/20 0.47
FFAR4 Q5NUL3 1/20 0.45
SYK P43405 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
TTR P02766 1/20 0.44
PTGFR P43088 1/20 0.43
ALDH1A1 P00352 1/20 0.43
IGF2BP2 Q9Y6M1 1/20 0.43
PDK2 Q15119 1/20 0.43
PTPRC P08575 2/20 0.42

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
SCHEMBL28362220 0.92 RXRA (0.48) RXRARXRBRXRGEGFRFFAR4
SCHEMBL14213194 0.89 RXRA (0.49) RXRARXRBRXRGSYKCSNK2A2
SCHEMBL14089991 0.88 RXRA (0.54) RXRARXRBRXRGFFAR4CSNK2A2
SCHEMBL21942059 0.88 SYK (0.56) RXRARXRBRXRGFFAR4SYK
SCHEMBL3902602 0.85 EGFR (0.55) EGFRIGF2BP2PDK2
SCHEMBL14089990 0.84 PTGER1 (0.49) RXRARXRBRXRGCSNK2A2CSNK2B
SCHEMBL536004 0.83 FFAR4 (0.59) RXRARXRBRXRGEGFRFFAR4
SCHEMBL1400067 0.82 SCN9A (0.56) PDK2
SCHEMBL29784182 0.82 SCN9A (0.56) PDK2
SCHEMBL3367612 0.80 RXRA (0.54) RXRARXRBRXRGSYKCSNK2A2

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
WO-2006060762-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO 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

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-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 RXRA 656/4885RXRB 839/4885RXRG 87/4885

“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.