SCHEMBL3533332

SCHEMBL3533332

O=C(O)CCc1cc2nc(C(F)(F)F)ccc2n1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 11/20 0.42
PPARA Q07869 10/20 0.42
PPARD Q03181 8/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
SLC2A1 P11166 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
SCHEMBL3531922 0.86 TSHR (0.48) HTTTSHRSMN1; SMN2MAPTMEN1
SCHEMBL3532789 0.86 PPARG (0.55) HTTPPARGPPARAPPARD
SCHEMBL3535420 0.82 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL3532192 0.81 PPARG (0.54) HTTTSHRSMN1; SMN2MAPTMEN1
SCHEMBL3529820 0.81 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL3523223 0.79 PPARG (0.64) HTTTSHRSMN1; SMN2MAPTMEN1
SCHEMBL3533464 0.78 PPARG (0.47) MEN1KMT2APPARGPPARAPPARD
SCHEMBL3531869 0.78 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL3533174 0.77 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL3531237 0.75 PPARG (0.51) PPARGPPARAPPARD

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 HTT 1944/4885TSHR 130/4885SMN1; SMN2 3212/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP HTT 77/4885TSHR 3901/4885SMN1; SMN2 2484/4885

“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.