SCHEMBL8254552

SCHEMBL8254552

CC(C)CC(N[C@@H](Cc1cncn1Cc1cccc2ccccc12)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 5/20 0.61
▸ ACE P12821 5/20 0.61
▸ ANPEP P15144 1/20 0.44
▸ MME P08473 2/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ NTSR1 P30989 5/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ MMP9 P14780 3/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP14 P50281 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL1658782 1.00 ACE2 (0.61) ACE2ACEANPEPMMECPA1
SCHEMBL8249141 0.87 ACE2 (0.64) ACE2ACEANPEPMMENTSR1
SCHEMBL5870153 0.87 ACE2 (0.64) ACE2ACEMMENTSR1
SCHEMBL1656622 0.87 ACE2 (0.64) ACE2ACEANPEPMMENTSR1
SCHEMBL5869596 0.86 ACE2 (0.63) ACE2ACEMME
SCHEMBL8249161 0.86 ACE2 (0.63) ACE2ACEMMECPA1NTSR1
SCHEMBL5869721 0.86 ACE2 (0.63) ACE2ACEMMECPA1NTSR1
SCHEMBL5869963 0.86 ACE2 (0.68) ACE2ACEANPEP
SCHEMBL1690941 0.85 ACE2 (0.59) ACE2ACENTSR1
SCHEMBL8249946 0.85 ACE2 (0.59) ACE2ACENTSR1

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-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 ACE2 2/4885ACE 1/4885ANPEP 118/4885

“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.

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