SCHEMBL5869799

SCHEMBL5869799

CC(C)C[C@H](NC(Cc1ccc(Cc2cc(Cl)cc(Cl)c2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 5/20 0.56
ACE P12821 5/20 0.56
GRN P28799 4/20 0.53
SORT1 Q99523 4/20 0.53
FOLH1 Q04609 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
LTA4H P09960 1/20 0.43
MME P08473 2/20 0.43
CPA1 P15085 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5869804 1.00 ACE2 (0.56) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869810 1.00 ACE2 (0.56) ACE2ACEGRNSORT1FOLH1
SCHEMBL8430283 0.89 ACE2 (0.63) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869860 0.89 ACE2 (0.53) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869850 0.89 ACE2 (0.53) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869853 0.89 ACE2 (0.53) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869645 0.87 ACE2 (0.54) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869637 0.87 ACE2 (0.54) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869640 0.87 ACE2 (0.54) ACE2ACEGRNSORT1FOLH1
SCHEMBL5869516 0.85 ACE2 (0.53) ACE2ACEGRNSORT1FOLH1

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 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 1/4885GRN 3026/4885

“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.