SCHEMBL3534196

SCHEMBL3534196

CN1CCOc2cc(S(=O)(=O)Nc3ccc(Cl)nc3I)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
EIF2AK3 Q9NZJ5 1/20 0.49
GHSR Q92847 1/20 0.49
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.47
TP53 P04637 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
SCHEMBL3528452 0.82 CYP2C9 (0.59) ALDH1A1HTTKMT2APKM
SCHEMBL3529882 0.78 GLO1 (0.54) ALDH1A1KMT2APKM
SCHEMBL3535933 0.78 PKM (0.59) PTGES2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3531257 0.77 PTGES2 (0.47) PTGES2ALDH1A1HTTRECQLHDAC3
SCHEMBL15882370 0.74 ALDH1A1 (0.66) PTGES2ALDH1A1HTTRECQLHDAC3
SCHEMBL3772396 0.74 PTGES2 (1.00) PTGES2ALDH1A1HTTRECQLHDAC3
SCHEMBL12096696 0.74 KMT2A (0.58) PTGES2ALDH1A1HTTRECQLEIF2AK3
SCHEMBL19852955 0.73 IDO1 (0.71) PTGES2ALDH1A1HTTRECQLHDAC3
SCHEMBL16509573 0.73 HTT (0.62) PTGES2ALDH1A1HTTRECQLHDAC3
SCHEMBL5388837 0.73 ALDH1A1 (0.56) PTGES2ALDH1A1HTTRECQLHDAC3

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 PTGES2 563/4885ALDH1A1 1314/4885HTT 1944/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP PTGES2 290/4885ALDH1A1 1350/4885HTT 77/4885

“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.