SCHEMBL6438893

SCHEMBL6438893

CC(C)C[C@@H](CNC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.69
MMP2 P08253 9/20 0.62
MMP8 P22894 8/20 0.62
MMP9 P14780 7/20 0.62
ECE1 P42892 3/20 0.60
MMP1 P03956 6/20 0.59
CCKBR P32239 1/20 0.56
ADAM10 O14672 1/20 0.54
ADAM12 O43184 1/20 0.54
ADAMTS4 O75173 1/20 0.54
MMP3 P08254 1/20 0.54
MMP7 P09237 1/20 0.54
MMP12 P39900 1/20 0.54
MMP13 P45452 1/20 0.54
MMP14 P50281 1/20 0.54
MMP15 P51511 1/20 0.54
MMP16 P51512 1/20 0.54
ADAM17 P78536 1/20 0.54
ADAM9 Q13443 1/20 0.54
MMP26 Q9NRE1 1/20 0.54

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
SCHEMBL7193888 1.00 TACR1 (0.69) TACR1MMP2MMP8MMP9ECE1
SCHEMBL2680253 0.90 MMP2 (0.72) TACR1MMP2MMP8MMP9ECE1
SCHEMBL6431194 0.86 ECE1 (0.79) MMP2MMP8MMP9ECE1MMP1
SCHEMBL8200364 0.85 TACR1 (0.86) TACR1MMP8MMP9CCKBRMMP14
SCHEMBL8200367 0.85 TACR1 (0.86) TACR1MMP8MMP9CCKBRMMP14
SCHEMBL6439250 0.84 MMP2 (0.80) MMP2MMP8MMP9ECE1MMP1
SCHEMBL6577614 0.84 MMP2 (0.80) MMP2MMP8MMP9ECE1MMP1
SCHEMBL7765890 0.84 MMP2 (0.80) MMP2MMP8MMP9ECE1MMP1
SCHEMBL6438804 0.82 MMP1 (0.67) MMP2MMP8MMP9ECE1MMP1
SCHEMBL6575670 0.79 MMP1 (0.84) MMP2MMP8MMP9ECE1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 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-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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 TACR1 2287/4885MMP2 19/4885MMP8 29/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 TACR1 2287/4885MMP2 19/4885MMP8 29/4885

“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.