SCHEMBL3527563

SCHEMBL3527563

COc1ccc(NS(=O)(=O)c2ccccc2)c(Br)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.50
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
SQSTM1 Q13501 1/20 0.48
SLC40A1 Q9NP59 4/20 0.47
PTGES2 Q9H7Z7 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
AGTR1 P30556 1/20 0.44
GLO1 Q04760 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL3531526 0.86 SMN1; SMN2 (0.52) CCR4SMN1; SMN2TSHRLMNAKEAP1
SCHEMBL3531129 0.81 SLC40A1 (0.61) SMN1; SMN2TSHRKEAP1NFE2L2SLC40A1
SCHEMBL29023892 0.75 KDM4E (0.65) CCR4SMN1; SMN2TSHRLMNAPTGES2
SCHEMBL8421017 0.74 TSHR (0.46) SMN1; SMN2TSHRLMNAKEAP1NFE2L2
SCHEMBL8627627 0.73 KEAP1 (0.56) SMN1; SMN2LMNAKEAP1NFE2L2SQSTM1
SCHEMBL38666234 0.72 NPSR1 (0.67) CCR4SMN1; SMN2TSHRLMNASLC40A1
SCHEMBL8421215 0.72 ACLY (0.49) SMN1; SMN2TSHRLMNAKEAP1NFE2L2
SCHEMBL8419441 0.72 ABCB1 (0.48) SMN1; SMN2TSHRLMNAKEAP1NFE2L2
SCHEMBL29023904 0.71 MAPT (0.64) CCR4SMN1; SMN2TSHRALDH1A1HTT
SCHEMBL21874148 0.71 METAP2 (0.48) SMN1; SMN2TSHRLMNAKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728002-B2 Use of pyrrolopyridine compounds for activating PPAR receptors and treatment of conditions involving such receptors LABORATOIRES FOURNIER S.A. (FR) 2010-06-01 US disclosed
US-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors LABORATOIRES FOURNIER S.A. (FR) 2009-09-24 US disclosed
EP-1919474-B1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS FOURNIER LAB SA (FR) 2009-08-05 EP disclosed
US-7557122-B2 Pyrrolopyridine compounds, method of making them and uses thereof LABORATOIRES FOURNIER S.A. (FR) 2009-07-07 US disclosed
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-08-21 US disclosed
EP-1919474-A1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS Laboratoires Fournier S.A. (FR) 2008-05-14 EP disclosed
WO-2007026104-A1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 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 (2 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-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors PPARD, PPARA, PPARG CCR4 3093/4885SMN1; SMN2 3212/4885TSHR 130/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP CCR4 3923/4885SMN1; SMN2 2484/4885TSHR 3901/4885

“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.