SCHEMBL1363798

SCHEMBL1363798

CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 4/20 0.56
MEP1A Q16819 2/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
HTT P42858 1/20 0.47
ADAM10 O14672 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
ADAM17 P78536 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MRGPRX4 Q96LA9 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
SCHEMBL646717 0.79 ABL1 (0.53) MEP1BMEP1AALDH1A1LMNASMN1; SMN2
SCHEMBL3872842 0.79 POLB (0.53) MEP1BMEP1AALDH1A1LMNASMN1; SMN2
SCHEMBL3877799 0.79 HSD17B1 (0.65) MEP1BMEP1AALDH1A1LMNAKMT2A
SCHEMBL8241614 0.78 ALDH1A1 (0.55) MEP1BMEP1AALDH1A1LMNASMN1; SMN2
SCHEMBL14025362 0.78 MEN1 (0.62) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL20790509 0.76 LMNA (0.52) MEP1BMEP1AALDH1A1LMNASMN1; SMN2
SCHEMBL18767163 0.76 ALDH1A1 (0.52) MEP1BMEP1AALDH1A1LMNASMN1; SMN2
SCHEMBL35185 0.75 MEN1 (0.65) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL29399627 0.75 MEN1 (0.65) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL15819635 0.74 SIRT2 (0.64) ALDH1A1LMNASMN1; SMN2HSD17B1HSD17B2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US 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-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 MEP1B 1467/4885MEP1A 1706/4885ALDH1A1 1389/4885

“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.