SCHEMBL4196824

SCHEMBL4196824

O=S(=O)(Cc1cccc(F)c1)c1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 2/20 0.41
NTRK1 P04629 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4197798 0.86 TSHR (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4201675 0.83 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27898948 0.81 PTGS2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL779990 0.78 L3MBTL1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23657904 0.78 MLNR (0.53) MEN1KMT2AL3MBTL1
SCHEMBL4017561 0.77 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5843078 0.77 CYP19A1 (0.46) MEN1KMT2AMAPT
SCHEMBL4205596 0.76 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4018370 0.74 KMT2A (0.55) MEN1KMT2AL3MBTL1MAPT
SCHEMBL28384255 0.74 MAOB (0.43) MEN1KMT2AL3MBTL1MAPT

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
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS PSEN1 331/4885PSEN2 359/4885APH1B 4380/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC PSEN1 1512/4885PSEN2 1411/4885APH1B 3145/4885

“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.