SCHEMBL586184

SCHEMBL586184

O=C(O)Cc1cc(S)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.54
RXRG P48443 9/20 0.54
RXRB P28702 8/20 0.54
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
TACR1 P25103 3/20 0.42
AGBL2 Q5U5Z8 1/20 0.41
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL504122 0.87 RXRA (0.68) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL153296 0.80 RXRA (0.67) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL4494395 0.80 RXRA (0.56) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL2184606 0.79 RXRA (0.54) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL22773948 0.79 RXRA (0.54) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL10153376 0.79 RXRA (0.54) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL29467110 0.79 RXRA (0.54) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL17147284 0.79 RXRA (0.54) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL29927941 0.79 RXRA (0.54) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL12333808 0.75 IDO1 (0.41) RXRARXRGRXRBTACR1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US 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
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
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 (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 RXRA 1859/4885RXRG 1273/4885RXRB 1696/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC RXRA 581/4885RXRG 955/4885RXRB 900/4885

“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.