SCHEMBL1169730

SCHEMBL1169730

COC(=O)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(C#N)cc2)cc1F

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 14/20 0.83
KCNA5 P22460 1/20 0.54
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL1169573 0.91 CXCR3 (1.00) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL1169906 0.90 CXCR3 (0.67) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL1169690 0.89 CXCR3 (0.81) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL1170035 0.86 CXCR3 (0.69) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL1169514 0.81 CXCR3 (0.76) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL12863666 0.80 CXCR3 (0.57) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL12863423 0.79 CXCR3 (0.65) CXCR3KCNA5TAS2R14MAPK1
SCHEMBL12863387 0.79 CXCR3 (0.69) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL12863418 0.79 CXCR3 (0.56) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL1170060 0.79 CXCR3 (1.00) CXCR3KCNA5PDE4APDE4BPDE4C

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-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
EP-2265575-A2 SULFONAMIDES Merck Serono S.A. (CH) 2010-12-29 EP disclosed
WO-2009124962-A2 SULFONAMIDES MERCK SERONO S.A. (CH) 2009-10-15 WO disclosed
WO-2009124962-A2 SULFONAMIDES MERCK SERONO S.A. (CH) 2009-10-15 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-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 CXCR3 1/4885KCNA5 1177/4885PDE4A 1943/4885

“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.