SCHEMBL5869748

SCHEMBL5869748

CC(C)C[C@H](NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.61
MME P08473 1/20 0.60
ACE P12821 1/20 0.60
CPA1 P15085 1/20 0.60
ACE2 Q9BYF1 1/20 0.60
GPR34 Q9UPC5 4/20 0.57
PPARA Q07869 3/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MAOB P27338 1/20 0.53
LTA4H P09960 1/20 0.52
PPARD Q03181 1/20 0.52

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
SCHEMBL5869558 1.00 PPARG (0.61) PPARGMMEACECPA1ACE2
SCHEMBL5869752 1.00 PPARG (0.61) PPARGMMEACECPA1ACE2
SCHEMBL5869597 0.89 MAOB (0.56) PPARGMMEACECPA1ACE2
SCHEMBL5869915 0.89 MAOB (0.56) PPARGMMEACECPA1ACE2
SCHEMBL6034328 0.88 PPARG (0.65) PPARGMMEACECPA1ACE2
SCHEMBL6034333 0.88 PPARG (0.65) PPARGMMEACECPA1ACE2
SCHEMBL5869623 0.88 BCHE (0.54) PPARGMMEACECPA1ACE2
SCHEMBL8249827 0.88 MME (0.62) PPARGMMEACECPA1ACE2
SCHEMBL5870487 0.88 FFAR1 (0.54) PPARGMME
SCHEMBL5869658 0.88 BCHE (0.54) PPARGMMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 PPARG 393/4885MME 11/4885ACE 1/4885

“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.