SCHEMBL586090

SCHEMBL586090

O=S(=O)(Cc1ccc(F)cc1)c1ccc(F)c(F)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
MLNR O43193 3/20 0.46
CYP2D6 P10635 3/20 0.46
POLB P06746 2/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
PNMT P11086 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4205920 0.88 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25053618 0.86 KMT2A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4205946 0.86 TSHR (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4201675 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28108051 0.85 MLNR (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4772848 0.80 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28388571 0.78 MLNR (0.56) MLNRCYP2D6CA1CA2CA9
SCHEMBL20002876 0.76 ACHE (0.58) POLBKMT2ATDP1EGFRERBB2
SCHEMBL7669392 0.76 ACHE (0.58) POLBKMT2ATDP1EGFRERBB2
SCHEMBL22662755 0.76 POLB (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326161-B Novel compounds ASTRAZENECA AB 2013-04-17 CN disclosed
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
CN-101374804-A Substituted diphenylethers, -amines, -sulfides and -methanes for the treatment of respiratory disease ASTRAZENECA AB (SE) 2009-02-25 CN disclosed
CN-101326161-A Novel compounds ASTRAZENECA AB (SE) 2008-12-17 CN 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
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS PSEN1 331/4885PSEN2 359/4885APH1B 4380/4885

“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.