SCHEMBL5361748

SCHEMBL5361748

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.51
PPARG P37231 5/20 0.51
PPARD Q03181 5/20 0.51
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL3963630 1.00 PPARA (0.51) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL3960340 0.85 SMN1; SMN2 (0.60) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL3960334 0.85 SMN1; SMN2 (0.60) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL5027065 0.84 PTPN1 (0.72) PTPN1CYP3A4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3963637 0.84 KDM4E (0.58) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL3963646 0.84 KDM4E (0.58) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL6148812 0.84 PTPN1 (0.68) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL5721743 0.84 TSHR (0.55) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL5024583 0.83 PTPN1 (0.60) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL5353330 0.83 TSHR (0.54) PPARAPPARGPPARDPTPN1KDM4E

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-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

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 PPARA 2/4885PPARG 1/4885PPARD 3/4885

“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.