SCHEMBL3535933

SCHEMBL3535933

O=S(=O)(Nc1ccc(Cl)nc1I)c1ccc2c(c1)CCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.59
MAPT P10636 2/20 0.59
PKLR P30613 1/20 0.51
KDM4E B2RXH2 2/20 0.48
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.44
BRD4 O60885 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
KIT P10721 1/20 0.42

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
SCHEMBL3528452 0.87 CYP2C9 (0.59) PKMMAPTKDM4ECYP2C9CYP2C19
SCHEMBL3529882 0.82 GLO1 (0.54) PKMMAPTKDM4ECYP2C9CYP2C19
SCHEMBL3534196 0.78 PTGES2 (0.58) PKMPTGES2HDAC3HDAC4HDAC1
SCHEMBL9930785 0.73 CCR2 (0.66) PKMMAPTPKLRHPGD
SCHEMBL3535146 0.72 SLC40A1 (0.61) PKMMAPTKDM4EHSP90AA1HSP90AB1
SCHEMBL14758359 0.72 ALDH1A1 (0.68) PKMMAPTPKLRKDM4EALDH1A1
SCHEMBL3530032 0.71 APP (0.42) MAPTALDH1A1
SCHEMBL9930861 0.70 CCR2 (0.60) PKMMAPT
SCHEMBL32664554 0.70 PKM (0.65) PKMMAPTPKLRKDM4EPTGES2
SCHEMBL12221325 0.70 LMNA (0.62) PKMMAPTKDM4EALDH1A1HPGD

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 5 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
EP-1919474-B1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS FOURNIER LAB SA (FR) 2009-08-05 EP 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 PKM 445/4885MAPT 3938/4885PKLR 268/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP PKM 60/4885MAPT 641/4885PKLR 142/4885

“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.