SCHEMBL5869403

SCHEMBL5869403

O=C(O)C(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)N[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.70
ACE2 Q9BYF1 4/20 0.70
MME P08473 2/20 0.48
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
MMEL1 Q495T6 1/20 0.40
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
IDO1 P14902 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
SCHEMBL8249532 1.00 ACE (0.70) ACEACE2MMECYP11B1CYP11B2
SCHEMBL5869398 1.00 ACE (0.70) ACEACE2MMECYP11B1CYP11B2
SCHEMBL5870146 1.00 ACE (0.70) ACEACE2MMECYP11B1CYP11B2
SCHEMBL7222176 0.87 ACE2 (0.77) ACEACE2CYP11B1CYP11B2FNTA
SCHEMBL8255994 0.84 ACE2 (0.79) ACEACE2CYP11B1CYP11B2FNTA
SCHEMBL8250261 0.84 ACE2 (0.62) ACEACE2MMECYP11B1CYP11B2
SCHEMBL5869486 0.84 ACE2 (0.62) ACEACE2MMECYP11B1CYP11B2
Ore-1001 SCHEMBL1691048 0.82 ACE2 (1.00) ACEACE2CYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL1656029 0.82 ACE2 (1.00) ACEACE2CYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL1691045 0.82 ACE2 (1.00) ACEACE2CYP11B1CYP11B2FNTA

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 ACE 1/4885ACE2 2/4885MME 11/4885

“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.