SCHEMBL3529882

SCHEMBL3529882

O=S(=O)(Nc1ccc(Cl)nc1I)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.54
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 7/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
GFER P55789 1/20 0.45
IDO1 P14902 1/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
SPR P35270 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3528452 0.93 CYP2C9 (0.59) CYP2C9CYP2C19ALDH1A1LMNARXFP1
SCHEMBL3535933 0.82 PKM (0.59) CYP2C9CYP2C19ALDH1A1RXFP1MAPT
SCHEMBL3534196 0.78 PTGES2 (0.58) ALDH1A1PKMKMT2A
SCHEMBL3531726 0.75 ALDH1A1 (0.45) GLO1CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL29540926 0.75 GLO1 (0.58) GLO1CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL22234265 0.75 GLO1 (0.58) GLO1CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL3535146 0.74 SLC40A1 (0.61) GLO1RXFP1MAPTPKMKDM4E
SCHEMBL3530032 0.74 APP (0.42) ALDH1A1MAPTFFAR4
SCHEMBL3531011 0.73 ALDH1A1 (0.43) GLO1CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL3527028 0.73 CCR2 (0.48) ALDH1A1LMNAMAPTPKMKDM4E

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 5 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

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 GLO1 4133/4885CYP2C9 2384/4885CYP2C19 1304/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP GLO1 655/4885CYP2C9 270/4885CYP2C19 205/4885

“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.