SCHEMBL5353330

SCHEMBL5353330

CCCCCCCNC(=O)COc1ccc(C[C@H](OC)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.54
PPARA Q07869 6/20 0.53
PPARG P37231 4/20 0.53
PPARD Q03181 4/20 0.53
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PTPN1 P18031 1/20 0.48
CYP3A4 P08684 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3963793 1.00 TSHR (0.54) TSHRRECQLPPARAPPARGPPARD
SCHEMBL3963046 1.00 TSHR (0.54) TSHRRECQLPPARAPPARGPPARD
SCHEMBL5361731 1.00 TSHR (0.54) TSHRRECQLPPARAPPARGPPARD
SCHEMBL5721743 0.99 TSHR (0.55) TSHRRECQLPPARAPPARGPPARD
SCHEMBL5024583 0.84 PTPN1 (0.60) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5024521 0.84 PTPN1 (0.60) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5027084 0.84 PTPN1 (0.60) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL3960334 0.84 SMN1; SMN2 (0.60) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL3960340 0.84 SMN1; SMN2 (0.60) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL6150552 0.83 PPARA (0.55) PPARAPPARGPPARD

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
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
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 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 TSHR 290/4885RECQL 3022/4885PPARA 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.