SCHEMBL5869488

SCHEMBL5869488

CC(C)C[C@H](NC(CNS(=O)(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.52
MMP1 P03956 3/20 0.52
MMP9 P14780 3/20 0.52
MMP3 P08254 2/20 0.52
MMP7 P09237 2/20 0.52
MMP13 P45452 2/20 0.52
GRN P28799 2/20 0.47
SORT1 Q99523 2/20 0.47
MMP12 P39900 2/20 0.43
GAA P10253 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ACE2 Q9BYF1 4/20 0.41
ACE P12821 3/20 0.41

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
SCHEMBL5869491 1.00 MMP2 (0.52) MMP2MMP1MMP9MMP3MMP7
SCHEMBL5869500 1.00 MMP2 (0.52) MMP2MMP1MMP9MMP3MMP7
SCHEMBL5870289 0.88 MMP2 (0.58) MMP2MMP1MMP9MMP3MMP7
SCHEMBL5870278 0.88 MMP2 (0.58) MMP2MMP1MMP9MMP3MMP7
SCHEMBL5870281 0.88 MMP2 (0.58) MMP2MMP1MMP9MMP3MMP7
SCHEMBL5869951 0.81 MMP2 (0.53) MMP2MMP1MMP9MMP3MMP7
SCHEMBL5869945 0.81 MMP2 (0.53) MMP2MMP1MMP9MMP3MMP7
SCHEMBL5869949 0.81 MMP2 (0.53) MMP2MMP1MMP9MMP3MMP7
SCHEMBL5869645 0.79 ACE2 (0.54) GRNSORT1ITGB1ITGA4ACE2
SCHEMBL5869640 0.79 ACE2 (0.54) GRNSORT1ITGB1ITGA4ACE2

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 2 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

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 266/4885MMP1 1393/4885MMP9 1346/4885

“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.