SCHEMBL3530671

SCHEMBL3530671

CC(OCc1cc2nc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccc2ncsc2c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 5/20 0.48
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
ADAMTS4 O75173 2/20 0.35
MMP13 P45452 2/20 0.35
CHRM5 P08912 3/20 0.34
FKBP1A P62942 1/20 0.34
FKBP5 Q13451 1/20 0.34
ALOX5AP P20292 1/20 0.33
NAMPT P43490 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3533939 0.89 PPARG (0.53) PPARGPPARDPPARAALDH1A1PKM
SCHEMBL3523785 0.88 PPARG (0.61) PPARGPPARDPPARAALDH1A1PKM
SCHEMBL3529725 0.86 PPARG (0.48) PPARGPPARDPPARAALDH1A1PKM
SCHEMBL3532548 0.86 PPARG (0.43) PPARGPPARDPPARAALDH1A1ADAMTS4
SCHEMBL3530747 0.86 PPARG (0.43) PPARGPPARDPPARAALDH1A1ADAMTS4
SCHEMBL3528746 0.86 PPARG (0.43) PPARGPPARDPPARAALDH1A1ADAMTS4
SCHEMBL3520441 0.84 PPARG (0.69) PPARGPPARDPPARA
SCHEMBL3525440 0.84 PPARG (0.69) PPARGPPARDPPARA
SCHEMBL3527997 0.81 PPARG (0.56) PPARGPPARDPPARAALDH1A1PKM
SCHEMBL3527558 0.77 PPARG (0.63) PPARGPPARDPPARAFKBP1AFKBP5

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.