SCHEMBL5869713

SCHEMBL5869713

CC(C)C[C@H](N[C@@H](Cc1cccc(Cc2ccccc2)c1)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.55
ACE P12821 1/20 0.51
MME P08473 3/20 0.50
LTA4H P09960 1/20 0.48
MMP2 P08253 2/20 0.47
MMP3 P08254 1/20 0.47
PLA2G10 O15496 3/20 0.46
PLA2G2A P14555 3/20 0.46
PLA2G1B P04054 1/20 0.46
PLA2G5 P39877 1/20 0.46
PLA2G2C Q5R387 1/20 0.46
PLA2G12B Q9BX93 1/20 0.46
PLA2G12A Q9BZM1 1/20 0.46
PLA2G2F Q9BZM2 1/20 0.46
PLA2G3 Q9NZ20 1/20 0.46
PLA2G2E Q9NZK7 1/20 0.46
PLA2G2D Q9UNK4 1/20 0.46
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45

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
SCHEMBL5869707 1.00 FOLH1 (0.55) FOLH1ACEMMELTA4HMMP2
SCHEMBL5869613 1.00 FOLH1 (0.55) FOLH1ACEMMELTA4HMMP2
SCHEMBL5869562 0.92 FOLH1 (0.51) FOLH1ACEMMEPLA2G10PLA2G2A
SCHEMBL5869546 0.92 FOLH1 (0.51) FOLH1ACEMMEPLA2G10PLA2G2A
SCHEMBL5869552 0.92 FOLH1 (0.51) FOLH1ACEMMEPLA2G10PLA2G2A
SCHEMBL5869578 0.90 MME (0.57) FOLH1ACEMMELTA4HMMP2
SCHEMBL5869568 0.90 MME (0.57) FOLH1ACEMMELTA4HMMP2
SCHEMBL5869585 0.90 MME (0.57) FOLH1ACEMMELTA4HMMP2
SCHEMBL8254871 0.90 MAPK1 (0.55) FOLH1ACE
SCHEMBL5870478 0.90 MAPK1 (0.55) FOLH1ACE

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 FOLH1 229/4885ACE 1/4885MME 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.