SCHEMBL5869658

SCHEMBL5869658

CC(C)C[C@H](N[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.54
MME P08473 2/20 0.53
MMP3 P08254 1/20 0.51
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MMP12 P39900 1/20 0.51
ALOX5 P09917 2/20 0.50
PPARG P37231 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
CTSK P43235 2/20 0.48
CTSS P25774 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACACB O00763 2/20 0.47
ACACA Q13085 2/20 0.47

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
SCHEMBL5869663 1.00 BCHE (0.54) BCHEMMEMMP3FFAR1FFAR4
SCHEMBL5869623 1.00 BCHE (0.54) BCHEMMEMMP3FFAR1FFAR4
SCHEMBL5869748 0.88 PPARG (0.61) MMEPPARGACECPA1ACE2
SCHEMBL5869558 0.88 PPARG (0.61) MMEPPARGACECPA1ACE2
SCHEMBL5869752 0.88 PPARG (0.61) MMEPPARGACECPA1ACE2
SCHEMBL8248581 0.87 MME (0.62) MMEMMP3ACE
SCHEMBL8248814 0.87 MME (0.62) MMEMMP3ACE
SCHEMBL8249153 0.87 MME (0.62) MMEMMP3ACE
SCHEMBL8248719 0.87 MME (0.62) MMEMMP3ACE
SCHEMBL5869766 0.87 MME (0.62) MMEMMP3ACE

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-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
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 BCHE 146/4885MME 11/4885MMP3 379/4885

“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.