SCHEMBL1169906

SCHEMBL1169906

CCOc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)OC)c(F)c2)Cc2ccccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 10/20 0.67
KCNA5 P22460 1/20 0.54
TDP1 Q9NUW8 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
CNR2 P34972 1/20 0.48
MAPK1 P28482 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
PTGER2 P43116 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL1169514 0.92 CXCR3 (0.76) CXCR3KCNA5TDP1PDE4APDE4B
SCHEMBL12863666 0.90 CXCR3 (0.57) CXCR3KCNA5TDP1PDE4APDE4B
SCHEMBL12863418 0.90 CXCR3 (0.56) CXCR3KCNA5TDP1PDE4APDE4B
SCHEMBL1169730 0.90 CXCR3 (0.83) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL1169690 0.89 CXCR3 (0.81) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL12863665 0.87 CXCR3 (0.54) CXCR3KCNA5TDP1PDE4APDE4B
SCHEMBL13649439 0.84 CXCR3 (0.61) CXCR3KCNA5TDP1PDE4APDE4B
SCHEMBL1170010 0.84 CXCR3 (0.64) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL12863663 0.83 CXCR3 (0.61) CXCR3KCNA5PDE4APDE4BPDE4C
SCHEMBL1169573 0.80 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 1177/4885TDP1 4373/4885

“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.