SCHEMBL3531084

SCHEMBL3531084

O=S(=O)(Nc1ccc(Cl)nc1I)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
ACLY P53396 1/20 0.46
EDNRB P24530 2/20 0.45
EDNRA P25101 2/20 0.45
SLC40A1 Q9NP59 2/20 0.45
TSHR P16473 1/20 0.45
PGR P06401 1/20 0.45
PGAM1 P18669 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.42
SLC16A3 O15427 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 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
SCHEMBL3533823 0.82 SLC40A1 (0.55) ACLYSLC40A1PGR
SCHEMBL3534093 0.81 ATM (0.62) SLC40A1ALDH1A1GAAMEN1KMT2A
SCHEMBL3535146 0.79 SLC40A1 (0.61) SLC40A1MAPTGAAMEN1KMT2A
SCHEMBL8394178 0.75 EDNRA (0.67) HCRTR1ACLYEDNRBEDNRATSHR
SCHEMBL8394170 0.74 EDNRA (0.67) HCRTR1EDNRBEDNRATSHRPGR
SCHEMBL9464640 0.73 ACLY (0.62) HCRTR1ACLYEDNRBEDNRATSHR
SCHEMBL2227371 0.72 AKT1 (0.45) SLC40A1MEN1KMT2A
SCHEMBL3258816 0.71 HCRTR1 (0.67) HCRTR1TSHRPGRPGAM1MAPT
SCHEMBL8394279 0.71 EDNRA (0.67) HCRTR1EDNRBEDNRATSHRPGR
SCHEMBL3257769 0.71 HCRTR1 (0.66) HCRTR1ACLYTSHRPGRPGAM1

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 4 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
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 HCRTR1 1192/4885ACLY 731/4885EDNRB 155/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP HCRTR1 3507/4885ACLY 404/4885EDNRB 124/4885

“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.