SCHEMBL7052628

SCHEMBL7052628

CCCC(CC(=O)N(NC(=O)c1ccc(C(=O)OC)cc1)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
MME P08473 3/20 0.43
ECE1 P42892 1/20 0.42
CTSK P43235 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
BIRC2 Q13490 1/20 0.39

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
SCHEMBL7047135 0.93 MMP8 (0.49) MMP8MMEECE1MMP1MMP3
SCHEMBL7048194 0.93 MMP7 (0.46) MMP8MMEECE1CTSKCTSS
SCHEMBL7048974 0.86 MMP2 (0.47) MMEECE1CTSKMMP1MMP7
SCHEMBL7046985 0.84 MMP1 (0.45) MMP8MMECTSLCTSSMMP1
SCHEMBL7046360 0.81 MMP8 (0.52) MMP8MMEMMP1MMP3MMP7
SCHEMBL7050237 0.80 MMP8 (0.49) MMP8MMEMMP1MMP3MMP7
SCHEMBL7052597 0.79 MME (0.54) MMP8MMEECE1MMP7BIRC2
SCHEMBL7050174 0.76 MMP7 (0.53) MMP8MMEMMP1MMP3MMP7
SCHEMBL6417550 0.76 MMP7 (0.53) MMP8MMEMMP1MMP3MMP7
SCHEMBL7049625 0.69 MMP1 (0.42) CTSKCTSLCTSSMMP1MMP3

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-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US disclosed
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 US disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 US disclosed
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 EP 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 MMP8 21/4885MME 81/4885ECE1 86/4885

“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.