SCHEMBL5869408

SCHEMBL5869408

CC(C)C[C@H](NC(Cn1ccn(CCc2ccccc2F)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.39
MMP9 P14780 10/20 0.39
NTSR1 P30989 2/20 0.38
MMP3 P08254 7/20 0.37
ACE P12821 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL5869411 1.00 MMP1 (0.39) MMP1MMP9NTSR1MMP3ACE
SCHEMBL5869421 1.00 MMP1 (0.39) MMP1MMP9NTSR1MMP3ACE
SCHEMBL7426808 0.86 MMP1 (0.46) MMP1MMP9NTSR1MMP3ACE
SCHEMBL5870089 0.83 ANPEP (0.38) MMP1MMP9MMP3
SCHEMBL5870321 0.83 ANPEP (0.38) MMP1MMP9MMP3
SCHEMBL5870317 0.83 ANPEP (0.38) MMP1MMP9MMP3
SCHEMBL5870188 0.82 MMP1 (0.48) MMP1MMP9NTSR1MMP3PSEN1
SCHEMBL5869703 0.82 MMP1 (0.48) MMP1MMP9NTSR1MMP3PSEN1
SCHEMBL5870191 0.82 MMP1 (0.48) MMP1MMP9NTSR1MMP3PSEN1
SCHEMBL7429682 0.80 NTSR1 (0.37) MMP1MMP9NTSR1MMP3PSEN1

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 MMP1 1393/4885MMP9 1346/4885NTSR1 403/4885

“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.