SCHEMBL8249273

SCHEMBL8249273

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.39
ANPEP P15144 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
THRB P10828 1/20 0.38
APP P05067 1/20 0.38
ACE2 Q9BYF1 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
SCHEMBL8255378 0.86 ACE2 (0.50) CA5AANPEPMMP9MMP8ACE2
SCHEMBL5869378 0.86 ACE2 (0.50) CA5AANPEPMMP9MMP8ACE2
SCHEMBL8249276 0.78 ACE2 (0.60) CYP11B1CYP11B2ACE2
SCHEMBL1658524 0.78 ACE2 (0.60) CYP11B1CYP11B2ACE2
SCHEMBL8249249 0.75 ACE2 (0.54) CYP11B1CYP11B2ACE2
SCHEMBL7222066 0.75 ACE2 (0.54) CYP11B1CYP11B2ACE2
SCHEMBL5171581 0.73 SLC7A5 (0.47) CYP11B1CYP11B2
SCHEMBL22654375 0.73 ACE2 (0.36) CYP11B1CYP11B2ACE2
SCHEMBL7272523 0.72 PIN1 (0.46) CYP11B1CYP11B2ACE2
SCHEMBL3712781 0.72 CYP11B1 (0.41) CYP11B1CYP11B2MMP2MMP9MMP8

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 CA5A 1139/4885ANPEP 118/4885CYP11B1 256/4885

“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.