SCHEMBL5869313

SCHEMBL5869313

CC(C)CC(NC(Cn1ccn(Cc2cc(F)cc(F)c2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.44
ACE P12821 4/20 0.44
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
MMP1 P03956 5/20 0.38
MMP9 P14780 5/20 0.38
MMP3 P08254 2/20 0.38
NTSR1 P30989 4/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL8250105 1.00 ACE2 (0.44) ACE2ACEGRNSORT1MMP1
SCHEMBL22491218 0.94 ACE2 (0.54) ACE2ACEGRNSORT1MMP1
SCHEMBL5869761 0.89 MMP1 (0.47) ACE2ACEMMP1MMP9MMP3
SCHEMBL5869912 0.89 MMP1 (0.47) ACE2ACEMMP1MMP9MMP3
SCHEMBL5869767 0.89 MMP1 (0.47) ACE2ACEMMP1MMP9MMP3
SCHEMBL5869972 0.89 ACE2 (0.42) ACE2ACEGRNSORT1CTSL
SCHEMBL5869974 0.89 ACE2 (0.42) ACE2ACEGRNSORT1CTSL
SCHEMBL5869981 0.89 ACE2 (0.42) ACE2ACEGRNSORT1CTSL
SCHEMBL22491222 0.87 ACE2 (0.48) ACE2ACEGRNSORT1MMP1
SCHEMBL5869742 0.86 ACE2 (0.60) ACE2ACEGRNSORT1MMP1

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 claimed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
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 ACE2 2/4885ACE 1/4885GRN 3026/4885

“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.