SCHEMBL5869741

SCHEMBL5869741

CC(C)CC(NC(CCNS(=O)(=O)c1cccc(Cl)c1)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTSB P07858 1/20 0.48
MAPK1 P28482 1/20 0.48
AKR1C3 P42330 2/20 0.47
MMP3 P08254 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
FBP1 P09467 5/20 0.44
HTR6 P50406 1/20 0.42
KAT6A Q92794 1/20 0.42
LARS1 Q9P2J5 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL5869732 1.00 CTSL (0.48) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL5869727 1.00 CTSL (0.48) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL5869949 0.83 MMP2 (0.53) MMP3
SCHEMBL5869951 0.83 MMP2 (0.53) MMP3
SCHEMBL5869945 0.83 MMP2 (0.53) MMP3
SCHEMBL5869702 0.82 ALDH1A1 (0.54) CTSSMMP3SLC1A3SLC1A2SLC1A1
SCHEMBL5869715 0.82 ALDH1A1 (0.54) CTSSMMP3SLC1A3SLC1A2SLC1A1
SCHEMBL5869706 0.82 ALDH1A1 (0.54) CTSSMMP3SLC1A3SLC1A2SLC1A1
SCHEMBL5869667 0.81 MMP9 (0.56) MMP3
SCHEMBL5869671 0.81 MMP9 (0.56) MMP3

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 CTSL 911/4885CTSS 751/4885CTSK 541/4885

“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.