SCHEMBL1169731

SCHEMBL1169731

COC(=O)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 12/20 0.69
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
KCNA5 P22460 1/20 0.59
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TAS2R14 Q9NYV8 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
MAPK1 P28482 1/20 0.54
TSHR P16473 1/20 0.53

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
SCHEMBL12863310 0.93 CXCR3 (0.77) CXCR3TP53MAPTKCNA5ALDH1A1
SCHEMBL12863464 0.90 TP53 (0.77) CXCR3TP53MAPTKCNA5TAS2R14
SCHEMBL1169847 0.89 PDE4A (0.57) CXCR3TP53MAPTKCNA5ALDH1A1
SCHEMBL1169383 0.87 CXCR3 (0.78) CXCR3KCNA5TAS2R14MEN1KMT2A
SCHEMBL1170035 0.87 CXCR3 (0.69) CXCR3KCNA5ALDH1A1KDM4ETAS2R14
SCHEMBL1169742 0.87 TP53 (0.79) CXCR3TP53MAPTTAS2R14MEN1
SCHEMBL1169305 0.87 TP53 (0.70) CXCR3TP53MAPTTAS2R14MEN1
SCHEMBL12863694 0.87 CXCR3 (0.75) CXCR3KCNA5TAS2R14MEN1KMT2A
SCHEMBL3436412 0.86 CXCR3 (0.72) CXCR3TP53KCNA5TAS2R14MEN1
SCHEMBL1169939 0.86 CXCR3 (0.71) CXCR3KCNA5ALDH1A1TAS2R14MEN1

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 4 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
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 1/4885TP53 1636/4885MAPT 4698/4885

“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.