SCHEMBL5483424

SCHEMBL5483424

CC(=O)C#Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
PYGL P06737 1/20 0.31
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
GSK3B P49841 1/20 0.30
GRM5 P41594 2/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL16803421 0.84 NPSR1 (0.35) FFAR1FFAR4ALDH1A1NPSR1
SCHEMBL8185797 0.80 KCNH2 (0.50) CYP3A4GRM5
SCHEMBL4487823 0.78 ACACB (0.46) FFAR1FFAR4TSHRALDH1A1NPSR1
SCHEMBL26664834 0.74 PYGL (0.57) TSHRCYP3A4PYGLNPSR1
SCHEMBL31337628 0.74 PYGL (0.57) TSHRCYP3A4PYGLNPSR1
SCHEMBL853694 0.74 CNR2 (0.39) FFAR1FFAR4TSHRCYP3A4MAPK1
SCHEMBL27214757 0.72 TSHR (0.57) TPMTFFAR1FFAR4TSHRCYP3A4
SCHEMBL16803398 0.71 NPSR1 (0.44) FFAR1ALDH1A1NPSR1GSK3BGRM5
SCHEMBL5480482 0.71 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL5479874 0.71 FFAR1 (0.45) FFAR1FFAR4

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
US-7202213-B2 Combination therapy using a dual PPAR-α/PPAR-γ activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2007-04-10 US disclosed
US-20030199451-A1 Combination therapy using a dual PPAR-a/PPAR-y activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders HIGH POINT PHARMACEUTICALS, LLC 2003-10-23 US disclosed
US-6569901-B2 (E)-(S)-2-Ethoxy-3-(4-(5-phenyl-pent-2-en-4-ynyloxy)-phenyl)-propionic acid, ethyl ester for example; treating conditions mediated by Peroxisome Proliferator-Activated Receptors (PPAR); diabetes, obesity NOVO NORDISK A/S (DK) 2003-05-27 US disclosed
EP-1254102-A1 ALKYNYLSUBSTITUTED PROPIONIC ACID DERIVATIVES AND THEIR USE AGAINST DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
US-20010041709-A1 New compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2001-11-15 US disclosed
WO-2001055086-A1 ALKYNYLSUBSTITUTED PROPIONIC ACID DERIVATIVES AND THEIR USE AGAINST DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 WO 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-20010041709-A1 New compounds, their preparation and use PPARG, PPARD, PPARA TPMT 2738/4885FFAR1 19/4885FFAR4 52/4885
US-20030199451-A1 Combination therapy using a dual PPAR-a/PPAR-y activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders GLP1R, PPARG, PPARA TPMT 4598/4885FFAR1 55/4885FFAR4 59/4885

“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.