SCHEMBL8249161

SCHEMBL8249161

CC(C)CC(N[C@@H](Cc1cncn1Cc1ccccc1-c1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 5/20 0.63
ACE P12821 4/20 0.63
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
PGGT1B P53609 3/20 0.40
KMT2A Q03164 1/20 0.40
MME P08473 1/20 0.39
CPA1 P15085 1/20 0.39
PLK1 P53350 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
NTSR1 P30989 3/20 0.36
MMP1 P03956 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
SCHEMBL5869721 1.00 ACE2 (0.63) ACE2ACEFNTAFNTBPGGT1B
SCHEMBL1690941 0.92 ACE2 (0.59) ACE2ACEFNTAFNTBPGGT1B
SCHEMBL8249946 0.92 ACE2 (0.59) ACE2ACEFNTAFNTBPGGT1B
SCHEMBL1656622 0.89 ACE2 (0.64) ACE2ACEFNTAFNTBPGGT1B
SCHEMBL5870153 0.89 ACE2 (0.64) ACE2ACEMMECYP11B1CYP11B2
SCHEMBL8249141 0.89 ACE2 (0.64) ACE2ACEFNTAFNTBPGGT1B
SCHEMBL5869963 0.88 ACE2 (0.68) ACE2ACEFNTAFNTBPGGT1B
SCHEMBL5869596 0.88 ACE2 (0.63) ACE2ACEKMT2AMMECYP11B1
SCHEMBL5870208 0.86 ACE2 (0.78) ACE2ACEFNTAFNTBMME
SCHEMBL8248569 0.86 ACE2 (0.78) ACE2ACEFNTAFNTBMME

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 1/4885FNTA 1718/4885

“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.