SCHEMBL3526692

SCHEMBL3526692

Nc1nc2cc(S(=O)(=O)Nc3ccc(Cl)nc3C#CCCCC(=O)O)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ATM Q13315 1/20 0.41
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3530734 0.82 PPARG (0.45) PPARGPPARDPPARAAKT1PIK3CA
SCHEMBL3528204 0.79 ACLY (0.38) MAPTALDH1A1HSD17B10LMNAKDM4E
SCHEMBL3531011 0.78 ALDH1A1 (0.43) MAPTPPARGPPARDPPARAALDH1A1
SCHEMBL3528111 0.77 GLO1 (0.46) PPARGPPARDPPARAAKT1PIK3CA
SCHEMBL3529749 0.77 SLC25A1 (0.39) MAPTALDH1A1HSD17B10LMNAKDM4E
SCHEMBL3531726 0.73 ALDH1A1 (0.45) MAPTPPARGPPARDPPARAALDH1A1
SCHEMBL3531257 0.73 PTGES2 (0.47) PPARGPPARDPPARAALDH1A1HTT
SCHEMBL3529789 0.72 POLB (0.49) ATMKMT2A
SCHEMBL3527410 0.72 MCL1 (0.46) PPARGPPARAALDH1A1HTTKMT2A
SCHEMBL3531723 0.72 MAPT (0.33) MAPTALDH1A1HSD17B10KDM4EHDAC6

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 MAPT 3938/4885ATM 1546/4885PPARG 3/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP MAPT 641/4885ATM 1675/4885PPARG 335/4885

“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.