SCHEMBL1169766

SCHEMBL1169766

O=[N+]([O-])c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 13/20 0.78
KCNA5 P22460 1/20 0.64
KMT2A Q03164 2/20 0.57
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
TAS2R14 Q9NYV8 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL12863380 0.86 CXCR3 (0.66) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL12863359 0.86 CXCR3 (0.66) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL1170029 0.85 CXCR3 (0.79) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL12865301 0.84 CXCR3 (0.61) CXCR3KCNA5KMT2AMMP1MMP2
SCHEMBL1169749 0.82 CXCR3 (0.74) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL1169968 0.82 CXCR3 (0.74) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL1169383 0.82 CXCR3 (0.78) CXCR3KCNA5KMT2ATAS2R14MEN1
SCHEMBL22637663 0.82 CXCR3 (0.58) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL12863326 0.82 CXCR3 (0.56) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL3436412 0.81 CXCR3 (0.72) CXCR3KCNA5KMT2APDE4APDE4B

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 1177/4885KMT2A 1412/4885

“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.