SCHEMBL4616440

SCHEMBL4616440

COC(=O)CCc1ccc(Oc2cc(Br)cc(C#N)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.38
PPARD Q03181 8/20 0.38
PPARA Q07869 8/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4616974 0.89 KMT2A (0.36) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4614915 0.87 CYP3A4 (0.41) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4616535 0.85 PPARG (0.42) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4512589 0.85 PPARG (0.40) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4527379 0.83 PPARG (0.39) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4503410 0.82 PPARG (0.45) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4516691 0.82 PPARG (0.42) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4502925 0.82 PPARG (0.49) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4528631 0.79 CYP1A2 (0.41) PPARGPPARDPPARAKMT2AMEN1
SCHEMBL4517850 0.76 PPARG (0.42) PPARGPPARDPPARAKMT2AMEN1

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
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARG 1/4885PPARD 3/4885PPARA 2/4885

“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.