SCHEMBL8255378

SCHEMBL8255378

CC(C)CC(N[C@@H](Cc1cncn1COCc1ccccc1)C(=O)NCCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.50
ACE P12821 3/20 0.50
MMP9 P14780 2/20 0.46
MMP1 P03956 1/20 0.46
CA5A P35218 1/20 0.43
ANPEP P15144 1/20 0.42
CA1 P00915 1/20 0.41
CTSK P43235 1/20 0.40
CAPN1 P07384 1/20 0.40
CAPN2 P17655 1/20 0.40
MMP8 P22894 1/20 0.40
MMP3 P08254 1/20 0.38

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
SCHEMBL5869378 1.00 ACE2 (0.50) ACE2ACEMMP9MMP1CA5A
SCHEMBL8249276 0.90 ACE2 (0.60) ACE2ACECTSK
SCHEMBL1658524 0.90 ACE2 (0.60) ACE2ACECTSK
SCHEMBL8249249 0.87 ACE2 (0.54) ACE2ACE
SCHEMBL7222066 0.87 ACE2 (0.54) ACE2ACE
SCHEMBL8249273 0.86 CA5A (0.39) ACE2MMP9CA5AANPEPMMP8
SCHEMBL1690980 0.79 ACE2 (0.63) ACE2ACEMMP9MMP1MMP3
SCHEMBL8248341 0.79 ACE2 (0.63) ACE2ACEMMP9MMP1MMP3
SCHEMBL5870208 0.77 ACE2 (0.78) ACE2ACE
SCHEMBL8248569 0.77 ACE2 (0.78) ACE2ACE

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 1/4885MMP9 1346/4885

“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.