SCHEMBL2824271

SCHEMBL2824271

CS(=O)(=O)c1ccc(C(=O)c2cc(OC(F)(F)F)ccc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
PTGS2 P35354 1/20 0.43
CCR9 P51686 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CFTR P13569 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2825433 0.84 MAPT (0.50) LMNAMAPTTSHRMAPK1HTT
SCHEMBL2843778 0.83 BRAF (0.47) CYP11B1CYP11B2LMNAMAPTTSHR
SCHEMBL2824553 0.83 MAPT (0.57) CYP11B1CYP11B2LMNAMAPTTSHR
SCHEMBL2826414 0.82 POLB (0.48) CYP11B1CYP11B2LMNAMAPTTSHR
SCHEMBL2823944 0.79 MAPT (0.46) LMNAMAPTTSHRMAPK1HTT
SCHEMBL2828934 0.78 IGF2BP2 (0.42) CNR2FFAR4CYP11B1CYP11B2LMNA
SCHEMBL2822598 0.77 ALDH1A1 (0.47) CYP11B1CYP11B2MAPTHTT
SCHEMBL19857760 0.76 CCR9 (0.49) CCR9CYP11B1CYP11B2LMNAMAPT
SCHEMBL2822085 0.76 CA1 (0.47) CA1CA2CA9MAPTMAPK1
SCHEMBL6342289 0.76 CCR9 (0.54) CNR2PTGS2CCR9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
CN-101068788-A As GABABQuinoline compounds as allosteric enhancers of receptors HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP disclosed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO disclosed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 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-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors GABRB1, GABRB2, GABRA1 CNR2 42/4885PTGS2 3237/4885CCR9 3830/4885

“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.