SCHEMBL6418968

SCHEMBL6418968

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
CA1 P00915 2/20 0.45
MME P08473 4/20 0.44
MMP7 P09237 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
FOLH1 Q04609 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL7050945 1.00 CA2 (0.45) CA2CA1MMEMMP7MMP2
SCHEMBL6417550 0.90 MMP7 (0.53) CA2CA1MMEMMP7MMP2
SCHEMBL7050174 0.90 MMP7 (0.53) CA2CA1MMEMMP7MMP2
SCHEMBL7046985 0.83 MMP1 (0.45) CA2CA1MMEMMP7GRN
SCHEMBL7048974 0.81 MMP2 (0.47) MMEMMP7MMP2MMP9MMP12
SCHEMBL7052597 0.81 MME (0.54) MMEMMP7MMP2MMP9MMP12
SCHEMBL7046360 0.80 MMP8 (0.52) MMEMMP7MMP2MMP12MMP13
SCHEMBL7050237 0.78 MMP8 (0.49) MMEMMP7MMP2MMP12MMP13
SCHEMBL7049625 0.78 MMP1 (0.42) MMP7MMP2MMP1MMP3CTSB
SCHEMBL6418504 0.78 MMP1 (0.44) CA2MMP7MMP2MMP9MMP12

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 EP claimed
US-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 US disclosed
US-20040176393-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2004-09-09 US disclosed
EP-1366765-A1 Use of matrix metalloproteinase inhibitors for treating neurological disorders and promoting wound healing WARNER-LAMBERT COMPANY LLC (US) 2003-12-03 EP disclosed
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
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US disclosed
US-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 US disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
US-6133304-A TREATING FIBROSIS, VENTRICULAR DILATION, AND/OR HEART FAILURE IN A MAMMAL BY ADMINISTERING AN ANTIFIBROTIC AMOUNT OF A MIXTURE OF AN ANGIOTENSIN-CONVERTING ENZYME(ACE) INHIBITOR AND AT LEAST ONE MATRIX METALLOPROTEINASE(MMP) INHIBITOR WARNER-LAMBERT COMPANY (US) 2000-10-17 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
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO 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 (4 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-20040176393-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 CA2 436/4885CA1 1927/4885MME 174/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 CA2 436/4885CA1 1927/4885MME 174/4885
US-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 CA2 1603/4885CA1 440/4885MME 81/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 CA2 436/4885CA1 1927/4885MME 174/4885

“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.