SCHEMBL3534012

SCHEMBL3534012

CC(OCC#Cc1nc(C(F)(F)F)ccc1N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.33
SLC6A4 P31645 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP13 P45452 1/20 0.32
P2RX7 Q99572 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PPARG P37231 1/20 0.30
PTGDR2 Q9Y5Y4 2/20 0.30

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
SCHEMBL3529727 0.82 MAPT (0.31) MEN1KMT2AMAPT
SCHEMBL3533051 0.80 PPARD (0.32) MEN1KMT2AKDM4EMAPTP2RX7
SCHEMBL3529818 0.76 P2RX7 (0.35) KDM4EP2RX7
SCHEMBL3534720 0.72 ALDH1A1 (0.43) TRPV1MEN1KMT2AKDM4EADAMTS4
SCHEMBL14630424 0.67 HSP90AA1 (0.36) KDM4E
SCHEMBL13018119 0.66 CYP1A2 (0.39) MEN1KMT2AKDM4EMAPTP2RX7
SCHEMBL3779152 0.65 PPARG (0.38) TRPV1MEN1KMT2AKDM4EMAPT
SCHEMBL3779149 0.65 PPARG (0.38) TRPV1MEN1KMT2AKDM4EMAPT
SCHEMBL14629964 0.63 HSP90AA1 (0.32) KMT2AKDM4EP2RX7
SCHEMBL2159069 0.63 ALDH1A1 (0.36) SLC6A4NOS2MEN1KMT2AKDM4E

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 TRPV1 351/4885SLC6A4 3112/4885NOS2 2464/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP TRPV1 416/4885SLC6A4 2349/4885NOS2 310/4885

“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.