SCHEMBL1148973

SCHEMBL1148973

O=S(=O)(CCl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACP1 P24666 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
KMT2A Q03164 2/20 0.36
DDR1 Q08345 1/20 0.36
CNR1 P21554 1/20 0.35
IDO1 P14902 2/20 0.35
PSEN1 P49768 1/20 0.35

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
SCHEMBL13063654 0.81 CES2 (0.45) CES2MAPTL3MBTL1ACP1CA1
SCHEMBL8763301 0.76 CES2 (0.41) CES2MAPTNPSR1GAALMNA
SCHEMBL67742 0.76 CES2 (0.48) CES2MAPTNPSR1GAALMNA
SCHEMBL3507443 0.75 CES2 (0.52) CES2MAPTNPSR1GAALMNA
SCHEMBL13018927 0.75 HSD11B1 (0.40) CES2MAPTNPSR1L3MBTL1ACP1
SCHEMBL4591973 0.75 L3MBTL1 (0.50) CES2MAPTLMNAPOLBL3MBTL1
SCHEMBL11004353 0.74 CA1 (0.69) MAPTNPSR1LMNAPOLBACP1
SCHEMBL28753502 0.73 CES2 (0.50) CES2MAPTNPSR1GAALMNA
SCHEMBL14601732 0.72 KMT2A (0.47) MAPTNPSR1GAALMNAPOLB
SCHEMBL109565 0.71 CES2 (0.54) CES2MAPTNPSR1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US disclosed
EP-2215082-B1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-09-21 EP disclosed
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 US disclosed
US-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
EP-2215082-A1 PHTHALAZINE AND PYRIDO Ý3,4-D¨PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-08-11 EP disclosed
EP-2185542-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-05-19 EP disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
WO-2009047336-A1 PHTHALAZINE AND PYRIDO [3,4-D] PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed
WO-2009021965-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-02-19 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 (3 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-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH1 CES2 4839/4885MAPT 875/4885NPSR1 48/4885
US-20090270355-A1 Compounds CMA1, HRH4, CCL11 CES2 1729/4885MAPT 1962/4885NPSR1 114/4885
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS HRH1, HRH2, HRH4 CES2 3396/4885MAPT 3167/4885NPSR1 38/4885

“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.