SCHEMBL3528452

SCHEMBL3528452

O=S(=O)(Nc1ccc(Cl)nc1I)c1ccc2c(c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 6/20 0.52
PKM P14618 1/20 0.52
IDO1 P14902 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.50
SPR P35270 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.48
KMT2A Q03164 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
SCHEMBL3529882 0.93 GLO1 (0.54) CYP2C9CYP2C19MAPTRXFP1ALDH1A1
SCHEMBL3535933 0.87 PKM (0.59) CYP2C9CYP2C19MAPTRXFP1ALDH1A1
SCHEMBL3534196 0.82 PTGES2 (0.58) ALDH1A1PKMHTTKMT2A
SCHEMBL29540849 0.75 ALDH1A1 (0.67) CYP2C9CYP2C19MAPTRXFP1ALDH1A1
SCHEMBL22252162 0.75 ALDH1A1 (0.67) CYP2C9CYP2C19MAPTRXFP1ALDH1A1
SCHEMBL3535146 0.74 SLC40A1 (0.61) MAPTRXFP1PKMKDM4EKMT2A
SCHEMBL3530032 0.74 APP (0.42) MAPTALDH1A1FFAR4
SCHEMBL3527028 0.73 CCR2 (0.48) MAPTALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL5229664 0.72 MAPT (0.97) MAPTALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL3536720 0.72 ALDH1A1 (0.52) CYP2C9CYP2C19ALDH1A1SMN1; SMN2LMNA

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 CYP2C9 2384/4885CYP2C19 1304/4885MAPT 3938/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP CYP2C9 270/4885CYP2C19 205/4885MAPT 641/4885

“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.