SCHEMBL8249140

SCHEMBL8249140

CCCCc1ccc(Cn2cncc2C[C@H](NC(CC(C)C)C(=O)O)C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.70
ACE P12821 3/20 0.70
MAPT P10636 1/20 0.48
CYP11B1 P15538 12/20 0.42
CYP11B2 P19099 12/20 0.42
FNTA P49354 1/20 0.38
FNTB P49356 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
SCHEMBL1660431 1.00 ACE2 (0.70) ACE2ACEMAPTCYP11B1CYP11B2
SCHEMBL8249920 0.88 ACE2 (0.76) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1690702 0.88 ACE2 (0.76) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8249359 0.88 ACE2 (0.82) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1658960 0.88 ACE2 (0.82) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8248569 0.87 ACE2 (0.78) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5870208 0.87 ACE2 (0.78) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5681866 0.87 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869848 0.87 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5870244 0.87 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FNTA

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 1/4885MAPT 2548/4885

“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.