SCHEMBL6414131

SCHEMBL6414131

CC(C)C[C@H](NC(=O)C(CS)CCc1ccccc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.77
MMP3 P08254 4/20 0.60
MMP2 P08253 2/20 0.59

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
SCHEMBL17704803 0.87 MME (0.62) MMEMMP3MMP2
SCHEMBL5869271 0.87 MME (1.00) MME
SCHEMBL5869412 0.87 MME (1.00) MME
SCHEMBL2679035 0.87 MME (1.00) MME
SCHEMBL8249769 0.87 MME (1.00) MME
SCHEMBL2679032 0.87 MME (1.00) MME
SCHEMBL6413845 0.85 MMP3 (0.80) MMEMMP3MMP2
SCHEMBL7444681 0.85 MME (0.70) MME
SCHEMBL5869522 0.84 MME (0.76) MMEMMP3MMP2
SCHEMBL5869515 0.84 MME (0.76) MMEMMP3MMP2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629343-A INHIBITORS OF METALLOENDOPROTEINASES WHICH DEGRADE CARTILAGE MERCK & CO., INC. (US) 1997-05-13 US claimed
WO-1994007481-A1 N-(MERCAPTOACYL)PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-04-14 WO 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
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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP 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
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP 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
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed
US-5629343-A INHIBITORS OF METALLOENDOPROTEINASES WHICH DEGRADE CARTILAGE MERCK & CO., INC. (US) 1997-05-13 US disclosed
WO-1994007481-A1 N-(MERCAPTOACYL)PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-04-14 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 (3 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 MME 174/4885MMP3 3/4885MMP2 19/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MME 174/4885MMP3 3/4885MMP2 19/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MME 174/4885MMP3 3/4885MMP2 19/4885

“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.