SCHEMBL5870306

SCHEMBL5870306

CC(C)C[C@H](N[C@@H](Cc1cccc(OCc2cccc(Cl)c2)c1)C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
MAOB P27338 4/20 0.52
MAOA P21397 3/20 0.52
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
GPR34 Q9UPC5 2/20 0.48
GPR132 Q9UNW8 1/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL5870499 1.00 NR4A2 (0.53) NR4A2MAOBMAOAMMEACE
SCHEMBL5870305 1.00 NR4A2 (0.53) NR4A2MAOBMAOAMMEACE
SCHEMBL8250026 0.94 ACE2 (0.52) NR4A2MAOBMAOAMMEACE
SCHEMBL5869311 0.94 ACE2 (0.52) NR4A2MAOBMAOAMMEACE
SCHEMBL5869745 0.92 MME (0.54) NR4A2MAOBMAOAMMEACE
SCHEMBL8255105 0.92 MME (0.54) NR4A2MAOBMAOAMMEACE
SCHEMBL8249827 0.90 MME (0.62) NR4A2MAOBMMEACECPA1
SCHEMBL8255762 0.86 MME (0.53) MAOBMMEACECPA1ACE2
SCHEMBL5869314 0.86 MME (0.53) MAOBMMEACECPA1ACE2
SCHEMBL5870205 0.85 NR4A2 (0.51) NR4A2MAOBMMEACECPA1

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
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 NR4A2 1217/4885MAOB 153/4885MAOA 203/4885

“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.