SCHEMBL7048897

SCHEMBL7048897

C[C@@H](O)[C@@H](NC(=O)C(CCCc1ccc(-c2ccc(NNC(=O)c3ccc([S+](C)[O-])cc3)nc2)cc1)CC(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.36
MMP3 P08254 5/20 0.36
DGAT1 O75907 4/20 0.36
MMP12 P39900 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL7047981 0.92 DGAT1 (0.34) MMP2MMP3DGAT1MMP1MMP9
SCHEMBL7765078 0.73 MMP2 (0.44) MMP2MMP3MMP12MMP1MMP9
SCHEMBL7758482 0.67 MMP2 (0.62) MMP2MMP3
SCHEMBL7758573 0.67 MMP2 (0.71) MMP2MMP3
SCHEMBL7758571 0.59 MMP2 (0.57) MMP2MMP3
SCHEMBL7758477 0.59 MMP2 (0.52) MMP2MMP3
SCHEMBL7758582 0.59 MMP2 (0.57) MMP2MMP3
SCHEMBL7758485 0.59 MMP2 (0.52) MMP2MMP3
SCHEMBL7761563 0.59 MMP2 (0.60) MMP2MMP3
SCHEMBL7761567 0.59 MMP2 (0.60) MMP2MMP3

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-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-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 MMP2 8/4885MMP3 3/4885DGAT1 2923/4885

“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.