SCHEMBL5111482

SCHEMBL5111482

COc1nc(C)cnc1NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 12/20 0.76
CCR5 P51681 2/20 0.76
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
PABPC1 P11940 1/20 0.56
EDNRA P25101 1/20 0.52
PIK3CA P42336 2/20 0.50
MTOR P42345 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NFKBIA P25963 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL5106483 0.89 CCR4 (0.60) CCR4CCR5EDNRA
SCHEMBL5103307 0.89 CCR4 (0.78) CCR4CCR5KMT2AMEN1PABPC1
SCHEMBL5105223 0.86 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL5099483 0.86 CCR5 (1.00) CCR4CCR5KMT2AMEN1PABPC1
SCHEMBL5106108 0.85 CCR5 (0.79) CCR4CCR5KMT2AMEN1PABPC1
SCHEMBL5099419 0.84 CCR4 (0.63) CCR4CCR5KMT2AMEN1PABPC1
SCHEMBL5098574 0.83 CCR4 (0.70) CCR4CCR5KMT2AMEN1PABPC1
SCHEMBL5103322 0.82 CCR5 (0.71) CCR4CCR5KMT2AMEN1PABPC1
SCHEMBL5102857 0.82 CCR4 (0.69) CCR4CCR5KMT2AMEN1PABPC1
SCHEMBL5113238 0.82 CCR5 (0.70) CCR4CCR5KMT2AMEN1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410972-B2 Compounds ASTRAZENECA AB (SE) 2008-08-12 US claimed
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 10/4885KMT2A 4617/4885

“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.