SCHEMBL3530734

SCHEMBL3530734

O=C(O)CCCC#Cc1nc(Cl)ccc1NS(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
GLO1 Q04760 1/20 0.44
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
CCKBR P32239 1/20 0.41
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN2 P17706 3/20 0.38
PTPN1 P18031 3/20 0.38
PTPN5 P54829 3/20 0.38
HSPD1 P10809 1/20 0.38

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
SCHEMBL3528111 0.96 GLO1 (0.46) PPARGPPARDPPARAGLO1ALDH1A1
SCHEMBL3526692 0.82 MAPT (0.41) PPARGPPARDPPARAALDH1A1PKM
SCHEMBL3528204 0.80 ACLY (0.38) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL3531011 0.79 ALDH1A1 (0.43) PPARGPPARDPPARAGLO1ALDH1A1
SCHEMBL3529749 0.78 SLC25A1 (0.39) ALDH1A1KDM4EPOLBMEN1GAA
SCHEMBL3525543 0.76 ALDH1A1 (0.44) PPARGPPARDPPARAGLO1ALDH1A1
SCHEMBL3532837 0.75 GLO1 (0.57) GLO1ALDH1A1PKMCCKBRAKT1
SCHEMBL3522630 0.74 ALDH1A1 (0.46) PPARGPPARDPPARAGLO1ALDH1A1
SCHEMBL3531726 0.74 ALDH1A1 (0.45) PPARGPPARDPPARAGLO1ALDH1A1
SCHEMBL3531257 0.74 PTGES2 (0.47) PPARGPPARDPPARAALDH1A1PKM

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 PPARG 3/4885PPARD 1/4885PPARA 2/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP PPARG 335/4885PPARD 55/4885PPARA 168/4885

“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.