SCHEMBL5869949

SCHEMBL5869949

CC(C)C[C@H](N[C@@H](CCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.53
MMP9 P14780 5/20 0.53
MMP3 P08254 3/20 0.53
MMP1 P03956 2/20 0.53
MMP7 P09237 2/20 0.53
MMP13 P45452 2/20 0.53
HTT P42858 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.49
MEP1B Q16820 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL5869951 1.00 MMP2 (0.53) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5869945 1.00 MMP2 (0.53) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5869667 0.92 MMP9 (0.56) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5869499 0.92 MMP9 (0.56) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5869671 0.92 MMP9 (0.56) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5869940 0.90 MMP2 (0.54) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5869942 0.90 MMP2 (0.54) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5869954 0.90 MMP2 (0.54) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5870454 0.89 MMP2 (0.49) MMP2MMP9MMP3MMP1MMP7
SCHEMBL5870456 0.89 MMP2 (0.49) MMP2MMP9MMP3MMP1MMP7

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 MMP2 266/4885MMP9 1346/4885MMP3 379/4885

“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.