SCHEMBL5361798

SCHEMBL5361798

CO[C@@H](Cc1ccc(OCC(=O)NC2CCC2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.52
ATF4 P18848 1/20 0.51
PPARG P37231 3/20 0.51
PPARD Q03181 3/20 0.51
PPARA Q07869 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL3960791 1.00 KMT2A (0.58) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL3959688 0.98 KMT2A (0.61) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL5372958 0.98 KMT2A (0.61) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL14501959 0.88 LMNA (0.50) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL14501960 0.88 LMNA (0.50) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL3964839 0.88 LMNA (0.50) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL3959969 0.88 LMNA (0.50) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL3959968 0.88 LMNA (0.50) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL5360563 0.88 LMNA (0.50) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL3962843 0.76 SMN1; SMN2 (0.50) KMT2ALMNASMN1; SMN2MEN1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US disclosed
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 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-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KMT2A 2361/4885L3MBTL1 4691/4885LMNA 2523/4885

“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.