SCHEMBL5111658

SCHEMBL5111658

O=S(=O)(Nc1ncc(Br)nc1OCc1ccco1)c1ccc(Cl)s1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 17/20 0.68
CCR5 P51681 2/20 0.64
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5103019 0.90 CCR4 (0.65) CCR4CCR5MEN1KMT2A
SCHEMBL5103326 0.85 CCR4 (0.48) CCR4CCR5ALDH1A1LMNAHTT
SCHEMBL6039005 0.84 CCR4 (0.73) CCR4CCR5MEN1PABPC1KMT2A
SCHEMBL5103230 0.81 CCR4 (1.00) CCR4CCR5MEN1PABPC1KMT2A
SCHEMBL6604764 0.80 CCR4 (0.52) CCR4CCR5MEN1KMT2A
SCHEMBL5105223 0.79 CCR4 (1.00) CCR4CCR5
SCHEMBL5105251 0.79 CCR4 (0.78) CCR4CCR5MEN1PABPC1KMT2A
SCHEMBL5106036 0.78 CCR4 (0.74) CCR4CCR5MEN1PABPC1KMT2A
SCHEMBL5105623 0.77 CCR4 (0.72) CCR4CCR5MEN1PABPC1KMT2A
SCHEMBL6185147 0.77 CCR4 (0.42) CCR4CCR5

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
EP-1458715-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-12-07 EP claimed
US-20050075346-A1 Novel compounds ASTRAZENECA AB (SE) 2005-04-07 US claimed
US-7410972-B2 Compounds ASTRAZENECA AB (SE) 2008-08-12 US disclosed
US-7410972-B2 Compounds ASTRAZENECA AB (SE) 2008-08-12 US disclosed
US-7410972-B2 Compounds ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1458715-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
US-20050075346-A1 Novel compounds ASTRAZENECA AB (SE) 2005-04-07 US disclosed
EP-1458715-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051870-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-06-26 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-20050075346-A1 Novel compounds CCL11, CCL2, CCL5 CCR4 22/4885CCR5 10/4885ALDH1A1 685/4885

“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.