SCHEMBL5869671

SCHEMBL5869671

CC(C)C[C@H](N[C@@H](CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.56
MMP2 P08253 11/20 0.56
MMP3 P08254 4/20 0.56
MMP1 P03956 4/20 0.56
MMP13 P45452 4/20 0.56
MMP7 P09237 2/20 0.56
ADAMTS4 O75173 3/20 0.51
MMP8 P22894 3/20 0.51
MMP12 P39900 3/20 0.51
MMP14 P50281 3/20 0.51
GAA P10253 1/20 0.50
ADAM17 P78536 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL5869667 1.00 MMP9 (0.56) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5869499 1.00 MMP9 (0.56) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5869942 0.93 MMP2 (0.54) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5869940 0.93 MMP2 (0.54) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5869954 0.93 MMP2 (0.54) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5870238 0.92 MMP2 (0.53) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5870225 0.92 MMP2 (0.53) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5869949 0.92 MMP2 (0.53) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5869951 0.92 MMP2 (0.53) MMP9MMP2MMP3MMP1MMP13
SCHEMBL5869945 0.92 MMP2 (0.53) MMP9MMP2MMP3MMP1MMP13

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 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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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 MMP9 1346/4885MMP2 266/4885MMP3 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.