SCHEMBL6300844

SCHEMBL6300844

O=C(CC(CCn1nnc2ccccc2c1=O)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.61
MMP3 P08254 11/20 0.61
MMP9 P14780 11/20 0.61
MMP13 P45452 10/20 0.61
MMP1 P03956 7/20 0.61
MMP8 P22894 1/20 0.49
GPR139 Q6DWJ6 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
RAB9A P51151 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47

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
SCHEMBL7893160 0.99 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7894228 0.99 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
Potassium Ion SCHEMBL7893163 0.90 MMP2 (0.60) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7894234 0.90 MMP2 (0.60) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893154 0.90 MMP2 (0.55) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7554346 0.90 MMP2 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7886287 0.88 MMP2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6292126 0.87 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7551832 0.86 MMP2 (0.62) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8203574 0.85 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923530-B1 INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED BIARYL OXOBUTYRIC ACIDS BAYER AG (US) 2004-09-01 EP claimed
US-6762184-B2 RHEUMATIC DISEASES; ORAL ISEASES; VISION DEFECTS; ANTIINFLAMMATORY AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-07-13 US claimed
US-6911449-B2 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-28 US disclosed
EP-0923530-B1 INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED BIARYL OXOBUTYRIC ACIDS BAYER AG (US) 2004-09-01 EP disclosed
US-6762184-B2 RHEUMATIC DISEASES; ORAL ISEASES; VISION DEFECTS; ANTIINFLAMMATORY AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-07-13 US disclosed
US-6762184-B2 RHEUMATIC DISEASES; ORAL ISEASES; VISION DEFECTS; ANTIINFLAMMATORY AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-07-13 US disclosed
US-20040127500-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION 2004-07-01 US disclosed
US-6500847-B2 RHEUMATIC DISEASES; ORAL ISEASES; VISION DEFECTS; ANTIINFLAMMATORY AGENTS BAYER CORPORATION 2002-12-31 US disclosed
US-20020042417-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION 2002-04-11 US disclosed
US-20020042418-A1 Inhibition of matrix metalloproteases by substitued biaryl oxobutyric acides BAYER PHARMACEUTICALS CORPORATION 2002-04-11 US disclosed
US-6225314-B1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER CORPORATION 2001-05-01 US disclosed
EP-1087761-A2 USE OF SUBSTITUTED 4-BIARYLBUTYRIC AND 5-BIARYLPENTANOIC ACID DERIVATIVES FOR THE TREATMENT OF CEREBRAL DISEASES Bayer Aktiengesellschaft (DE) 2001-04-04 EP disclosed
WO-2000050017-A2 USE OF SUBSTITUTED 4-BIARYLBUTYRIC AND 5-BIARYLPENTANOIC ACID DERIVATIVES FOR THE TREATMENT OF CEREBRAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2000-08-31 WO disclosed
EP-1031349-A1 Use of substituted 4-biarylbutyric and 5-biarylpentanoic acid derivatives for the treatment of cerebral diseases Bayer Aktiengesellschaft (DE) 2000-08-30 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 (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-20040127500-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids ADAMTS5, ADAMTS1, MMP26 MMP2 13/4885MMP3 21/4885MMP9 15/4885
US-20020042417-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids ADAMTS5, ADAMTS1, MMP13 MMP2 12/4885MMP3 23/4885MMP9 9/4885
US-20020042418-A1 Inhibition of matrix metalloproteases by substitued biaryl oxobutyric acides ADAMTS5, ADAMTS1, ADAMTS4 MMP2 12/4885MMP3 29/4885MMP9 10/4885

“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.