SCHEMBL1169847

SCHEMBL1169847

COC(=O)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
CXCR3 P49682 11/20 0.56
KCNA5 P22460 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.48
TP53 P04637 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
SCHEMBL1169731 0.89 CXCR3 (0.69) PDE4APDE4BPDE4CPDE4DCXCR3
SCHEMBL1169639 0.88 CXCR3 (0.61) PDE4APDE4BPDE4CPDE4DCXCR3
SCHEMBL12863703 0.88 TP53 (0.61) CXCR3MAPK1MAPTTP53
SCHEMBL1169750 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCXCR3
SCHEMBL1170035 0.83 CXCR3 (0.69) PDE4APDE4BPDE4CPDE4DCXCR3
SCHEMBL12863310 0.83 CXCR3 (0.77) CXCR3KCNA5ALDH1A1KDM4EMAPT
SCHEMBL12863111 0.82 CXCR3 (0.82) CXCR3KCNA5HDAC3HDAC11HDAC8
SCHEMBL18422997 0.81 ALDH1A1 (0.56) PDE4APDE4BPDE4CPDE4DCXCR3
SCHEMBL13649404 0.81 CXCR3 (0.53) PDE4APDE4BPDE4CPDE4DCXCR3
SCHEMBL12863112 0.81 CXCR3 (0.83) PDE4APDE4BPDE4CPDE4DCXCR3

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 PDE4A 1943/4885PDE4B 2347/4885PDE4C 2287/4885

“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.