SCHEMBL3534720

SCHEMBL3534720

CC(OCC#Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc2ncsc2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
GLO1 Q04760 1/20 0.42
CCKBR P32239 1/20 0.39
TRPV1 Q8NER1 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSPD1 P10809 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN5 P54829 1/20 0.36
HSPE1 P61604 1/20 0.36
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ADAMTS4 O75173 1/20 0.35

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
SCHEMBL3529251 0.79 ALDH1A1 (0.44) ALDH1A1PKMGLO1CCKBRKDM4E
SCHEMBL3523608 0.76 ALDH1A1 (0.43) ALDH1A1PKMGLO1CCKBRKDM4E
SCHEMBL3526713 0.75 ALDH1A1 (0.46) ALDH1A1PKMGLO1CCKBRKDM4E
SCHEMBL3528111 0.74 GLO1 (0.46) ALDH1A1PKMGLO1CCKBRKDM4E
SCHEMBL3530734 0.72 PPARG (0.45) ALDH1A1PKMGLO1CCKBRKDM4E
SCHEMBL3534012 0.72 TRPV1 (0.33) TRPV1KDM4EMEN1KMT2AADAMTS4
SCHEMBL3525396 0.71 ALDH1A1 (0.44) ALDH1A1PKMGLO1CCKBRKDM4E
SCHEMBL3740583 0.71 ALDH1A1 (0.42) ALDH1A1PKMGLO1CCKBRTRPV1
SCHEMBL3530671 0.69 PPARG (0.48) ALDH1A1PKMADAMTS4MMP13
SCHEMBL3524894 0.69 ALDH1A1 (0.42) ALDH1A1PKMGLO1CCKBRKDM4E

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 ALDH1A1 1314/4885PKM 445/4885GLO1 4133/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP ALDH1A1 1350/4885PKM 60/4885GLO1 655/4885

“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.