SCHEMBL5869124

SCHEMBL5869124

CC(C)C[C@H](NC(=O)C(S)Cc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 1.00
ACE P12821 7/20 0.70
CPA1 P15085 5/20 0.70
ACE2 Q9BYF1 5/20 0.70
LTA4H P09960 1/20 0.60

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
SCHEMBL5870542 1.00 MME (1.00) MMEACECPA1ACE2LTA4H
SCHEMBL5869122 1.00 MME (1.00) MMEACECPA1ACE2LTA4H
SCHEMBL5869127 1.00 MME (1.00) MMEACECPA1ACE2LTA4H
SCHEMBL5869120 1.00 MME (1.00) MMEACECPA1ACE2LTA4H
SCHEMBL9068713 1.00 MME (1.00) MMEACECPA1ACE2LTA4H
SCHEMBL8255029 0.93 MME (0.87) MMEACECPA1ACE2
SCHEMBL8005905 0.93 MME (0.87) MMEACECPA1ACE2
SCHEMBL5869332 0.93 MME (0.87) MMEACECPA1ACE2
SCHEMBL10950839 0.88 MME (0.78) MMEACECPA1ACE2
SCHEMBL7304938 0.88 MME (0.77) MMEACECPA1ACE2

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 4 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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 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 MME 11/4885ACE 1/4885CPA1 346/4885

“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.