SCHEMBL3535146

SCHEMBL3535146

O=S(=O)(Nc1ccc(Cl)nc1I)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.61
GAA P10253 1/20 0.53
ERBB2 P04626 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RECQL P46063 1/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CG P48736 2/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
METAP2 P50579 2/20 0.46
METAP1 P53582 2/20 0.46
G6PD P11413 1/20 0.46
NFKBIA P25963 1/20 0.46
AGTR1 P30556 1/20 0.46

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
SCHEMBL3533105 0.84 SLC40A1 (0.55) SLC40A1GAAGLO1MAPTKMT2A
SCHEMBL3527028 0.82 CCR2 (0.48) SLC40A1GAAKDM4ENPSR1PIK3CD
SCHEMBL3531305 0.81 KEAP1 (0.56) SLC40A1GAAGLO1TDP1MEN1
SCHEMBL3529529 0.81 KMT2A (0.49) SLC40A1GAAMETAP2MEN1MAPT
SCHEMBL23419161 0.81 SLC40A1 (0.48) SLC40A1GAAERBB2HSP90AA1HSP90AB1
SCHEMBL6617964 0.81 SLC40A1 (0.61) SLC40A1GAAERBB2HSP90AA1HSP90AB1
SCHEMBL3530032 0.81 APP (0.42) SLC40A1NPSR1PIK3CDMETAP2MAPT
SCHEMBL3535998 0.80 NFE2L2 (0.61) SLC40A1GAAGLO1KEAP1
SCHEMBL2227371 0.80 AKT1 (0.45) SLC40A1PIK3CDGLO1MEN1KMT2A
SCHEMBL3531666 0.80 SLC40A1 (0.50) SLC40A1GAARECQLMETAP2METAP1

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 SLC40A1 3063/4885GAA 3439/4885ERBB2 856/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP SLC40A1 1720/4885GAA 113/4885ERBB2 2133/4885

“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.