SCHEMBL4201675

SCHEMBL4201675

O=S(=O)(Cc1ccc(F)cc1)c1ccc(F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
MLNR O43193 1/20 0.43
CYP2D6 P10635 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
PNMT P11086 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GRM5 P41594 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
EGFR P00533 2/20 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
SCHEMBL4197798 0.87 TSHR (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL586090 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4196824 0.83 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4772848 0.83 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28108051 0.80 MLNR (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4205920 0.80 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27898980 0.80 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL585199 0.78 PTGS2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4205596 0.76 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13676606 0.75 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A

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.