SCHEMBL5869327

SCHEMBL5869327

CC(C)CC(NC(Cc1cccc(OCc2cc(F)cc(F)c2)c1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
GPR34 Q9UPC5 4/20 0.49
GPR132 Q9UNW8 3/20 0.47
FOLH1 Q04609 1/20 0.46
NR4A2 P43354 1/20 0.45
MAOB P27338 2/20 0.44
CTSK P43235 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PTGES O14684 1/20 0.42

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
SCHEMBL8249399 1.00 MME (0.52) MMEACECPA1ACE2GPR34
SCHEMBL22491225 0.92 MME (0.46) MMEACECPA1ACE2GPR34
SCHEMBL8249827 0.90 MME (0.62) MMEACECPA1ACE2GPR34
SCHEMBL5869314 0.88 MME (0.53) MMEACECPA1ACE2GPR34
SCHEMBL8255762 0.88 MME (0.53) MMEACECPA1ACE2GPR34
SCHEMBL22491229 0.87 MME (0.43) MMEACECPA1ACE2GPR34
SCHEMBL5869311 0.87 ACE2 (0.52) MMEACECPA1ACE2GPR34
SCHEMBL8250026 0.87 ACE2 (0.52) MMEACECPA1ACE2GPR34
SCHEMBL5870305 0.85 NR4A2 (0.53) MMEACECPA1ACE2GPR34
SCHEMBL5870499 0.85 NR4A2 (0.53) MMEACECPA1ACE2GPR34

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 5 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 claimed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
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 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.