SCHEMBL5869578

SCHEMBL5869578

CC(C)C[C@H](N[C@@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.57
FOLH1 Q04609 2/20 0.55
ACE P12821 3/20 0.54
LTA4H P09960 1/20 0.54
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
MMP2 P08253 2/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50

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
SCHEMBL5869568 1.00 MME (0.57) MMEFOLH1ACELTA4HCPA1
SCHEMBL5869585 1.00 MME (0.57) MMEFOLH1ACELTA4HCPA1
SCHEMBL5869326 0.94 MME (0.62) MMEFOLH1ACELTA4HCPA1
SCHEMBL8257978 0.94 MME (0.62) MMEFOLH1ACELTA4HCPA1
SCHEMBL8258735 0.94 MME (0.62) MMEFOLH1ACELTA4HCPA1
SCHEMBL8255494 0.94 MME (0.62) MMEFOLH1ACELTA4HCPA1
SCHEMBL5869613 0.90 FOLH1 (0.55) MMEFOLH1ACELTA4HMMP2
SCHEMBL5869713 0.90 FOLH1 (0.55) MMEFOLH1ACELTA4HMMP2
SCHEMBL5869707 0.90 FOLH1 (0.55) MMEFOLH1ACELTA4HMMP2
SCHEMBL8248574 0.90 MME (0.65) MMEFOLH1ACECPA1ACE2

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-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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 MME 11/4885FOLH1 229/4885ACE 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.