SCHEMBL5608151

SCHEMBL5608151

Cc1ccc(OCCC(NC(=O)OC(C)(C)C)C(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
PPARG P37231 6/20 0.47
AAK1 Q2M2I8 3/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
ACE P12821 1/20 0.44
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5082463 0.90 AAK1 (0.46) PPARAPPARGAAK1ALDH1A1L3MBTL1
SCHEMBL14381131 0.90 AAK1 (0.46) PPARAPPARGAAK1ALDH1A1L3MBTL1
SCHEMBL5082466 0.90 AAK1 (0.46) PPARAPPARGAAK1ALDH1A1L3MBTL1
SCHEMBL14381130 0.85 TACR1 (0.49) PPARAPPARGAAK1ALDH1A1L3MBTL1
SCHEMBL5078476 0.81 ALDH1A1 (0.45) PPARAPPARGAAK1ALDH1A1L3MBTL1
SCHEMBL1748989 0.81 ACE (0.53) PPARAPPARGALDH1A1TSHRITGB3
SCHEMBL1748990 0.81 ACE (0.53) PPARAPPARGALDH1A1TSHRITGB3
SCHEMBL5607835 0.79 KDM4E (0.47) AAK1ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL21601437 0.78 HPGD (0.55) PPARAPPARGAAK1ALDH1A1L3MBTL1
SCHEMBL9089276 0.78 ITGB3 (0.58) PPARAPPARGALDH1A1TSHRITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP PPARA 448/4885PPARG 250/4885AAK1 979/4885

“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.