SCHEMBL3531387

SCHEMBL3531387

CN1CCOc2cc(S(=O)(=O)n3c(CCC(=O)O)cc4nc(Cl)ccc43)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.60
PPARD Q03181 10/20 0.60
PPARA Q07869 8/20 0.60
GBA1 P04062 1/20 0.41
RECQL P46063 2/20 0.40
THRB P10828 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL3537039 0.95 PPARG (0.68) PPARGPPARDPPARAGBA1
SCHEMBL3531751 0.85 PPARG (0.47) PPARGPPARDPPARAGBA1RECQL
SCHEMBL3527514 0.84 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL3528867 0.83 PPARG (0.65) PPARGPPARDPPARARECQLALDH1A1
SCHEMBL3530699 0.81 PPARG (0.66) PPARGPPARDPPARAALDH1A1
SCHEMBL3523677 0.81 PPARG (0.89) PPARGPPARDPPARA
SCHEMBL3526689 0.79 MAPK1 (0.45) PPARGPPARDPPARATHRB
SCHEMBL3528052 0.78 PPARG (0.74) PPARGPPARDPPARA
SCHEMBL3527001 0.78 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL3535429 0.77 PPARG (0.68) PPARGPPARDPPARA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101242833-B Pyrrolopyridine derivatives and use of same as PPAR receptor modulators FOURNIER LAB SA 2012-06-27 CN disclosed
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
CN-101242833-A Pyrrolopyridine derivatives and use of same as PPAR receptor modulators FOURNIER LAB SA (FR) 2008-08-13 CN 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.