SCHEMBL8248307

SCHEMBL8248307

CCC(N[C@@H](Cc1cncn1Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.62
ACE P12821 4/20 0.62
CYP11B1 P15538 9/20 0.54
CYP11B2 P19099 9/20 0.54
IDO1 P14902 1/20 0.44
FNTA P49354 4/20 0.41
FNTB P49356 4/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7222649 1.00 ACE2 (0.62) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL8250261 0.91 ACE2 (0.62) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL5869486 0.91 ACE2 (0.62) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL8249070 0.89 ACE (0.58) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL5869812 0.89 ACE (0.58) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL8248569 0.88 ACE2 (0.78) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL5870208 0.88 ACE2 (0.78) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL5870473 0.88 ACE2 (0.57) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL8249323 0.82 CYP11B1 (0.49) ACE2ACECYP11B1CYP11B2IDO1
SCHEMBL8430368 0.82 ACE2 (0.63) ACE2ACECYP11B1CYP11B2IDO1

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 1/4885CYP11B1 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.