SCHEMBL4508979

SCHEMBL4508979

O=C1c2ccc(OS(=O)(=O)C(F)(F)F)cc2CCN1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.58
ITGB3 P05106 8/20 0.46
ITGA2B P08514 8/20 0.46
AOC3 Q16853 1/20 0.46
ACHE P22303 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 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
SCHEMBL5284246 0.88 GRIN2B (0.46) GRM5ITGB3ITGA2BACHEPRMT5
SCHEMBL3735903 0.85 ITGB3 (0.52) GRM5ITGB3ITGA2BAOC3
SCHEMBL4490327 0.84 HRH3 (0.46) GRM5ITGB3ITGA2BAOC3HRH3
SCHEMBL4502402 0.83 GRM5 (0.62) GRM5ITGB3ITGA2BACHEPRMT5
SCHEMBL29438690 0.83 GRM5 (0.62) GRM5ITGB3ITGA2BACHEPRMT5
SCHEMBL7799399 0.82 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL3656341 0.81 DRD2 (0.48) AOC3ACHEHRH3
SCHEMBL3660375 0.80 HRH3 (0.45) AOC3ACHEHRH3
SCHEMBL3652397 0.80 HRH3 (0.45) AOC3ACHEHRH3
SCHEMBL7533063 0.79 GRM5 (0.67) GRM5ACHEHRH3LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
EP-1917241-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-05-07 EP disclosed
WO-2007000339-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 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 (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-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPKAPK3 GRM5 2566/4885ITGB3 2964/4885ITGA2B 3063/4885

“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.