SCHEMBL1779301

SCHEMBL1779301

COC(=O)COc1ccc(OCC#Cc2cc(C#CCN3CCOCC3)cc(C#Cc3ccc(S(C)(=O)=O)cc3)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
MMP13 P45452 2/20 0.45
MMP3 P08254 1/20 0.45
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.39
ADAM17 P78536 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL1776443 0.92 PPARD (0.51) MMP2MMP13MMP3PPARDPPARG
SCHEMBL1776495 0.90 KDM4E (0.52) MMP2MMP13MMP3PPARDPPARG
SCHEMBL1777987 0.90 PPARD (0.46) MMP2MMP13MMP3PPARDPPARG
SCHEMBL1775831 0.88 PPARD (0.56) MMP2MMP13MMP3PPARDPPARG
SCHEMBL1777231 0.87 PPARD (0.50) MMP2MMP13PPARDPPARGPPARA
SCHEMBL1779432 0.83 KDM4E (0.50) PPARDPPARGPPARAPOLBALDH1A1
SCHEMBL1775961 0.82 PPARD (0.53) PPARDPPARGPPARAAPEX1ALDH1A1
SCHEMBL1776492 0.82 KDM4E (0.56) PPARDPPARGPPARAAPEX1ALDH1A1
SCHEMBL14419862 0.81 PPARD (0.50) MMP2MMP13MMP3PPARDPPARG
SCHEMBL1777984 0.80 PPARD (0.47) PPARDPPARGPPARAALDH1A1KDM4E

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-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
EP-1999098-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE High Point Pharmaceuticals, LLC (US) 2008-12-10 EP disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 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 (1 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-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE PPARD, PPARG, PPARA MMP2 3258/4885MMP13 3135/4885MMP3 3215/4885

“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.