SCHEMBL5222859

SCHEMBL5222859

COC(=O)CC(NC(=O)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CA2 P00918 6/20 0.48
CA1 P00915 3/20 0.48
HSP90AA1 P07900 1/20 0.47
CASP3 P42574 1/20 0.47
CA12 O43570 1/20 0.46
MMP2 P08253 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
OGG1 O15527 1/20 0.45
CYP3A4 P08684 2/20 0.44

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
SCHEMBL16898335 0.88 KMT2A (0.50) KMT2AMEN1POLBCYP1A2ATM
SCHEMBL16898855 0.88 KMT2A (0.50) KMT2AMEN1POLBCYP1A2ATM
SCHEMBL16898334 0.88 KMT2A (0.50) KMT2AMEN1POLBCYP1A2ATM
SCHEMBL5219235 0.88 KMT2A (0.50) KMT2AMEN1POLBCYP1A2ATM
SCHEMBL5210394 0.87 CA2 (0.49) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL5118660 0.87 CA2 (0.49) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL6504398 0.86 MEN1 (0.48) KMT2AMEN1POLBALDH1A1CA2
SCHEMBL8211973 0.86 MEN1 (0.48) KMT2AMEN1POLBALDH1A1CA2
SCHEMBL6507992 0.85 CA2 (0.51) LMNAALDH1A1CA2CA1HTT
SCHEMBL26264270 0.84 CA2 (0.64) KMT2ALMNAALDH1A1CA2CA1

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
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KMT2A 4165/4885MEN1 4766/4885POLB 3035/4885

“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.