SCHEMBL6300876

SCHEMBL6300876

O=C(C[C@@H](CCn1ncc2ccccc2c1=O)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.54
MMP3 P08254 8/20 0.54
MMP9 P14780 8/20 0.54
MMP13 P45452 7/20 0.54
MMP1 P03956 4/20 0.48
MMP8 P22894 1/20 0.48
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MITF O75030 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PLA2G10 O15496 1/20 0.39
S1PR4 O95977 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL6299859 1.00 MMP2 (0.54) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6300681 1.00 MMP2 (0.54) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6300844 0.83 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893160 0.82 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7894228 0.82 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL15733161 0.79 MMP2 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7854952 0.78 MMP2 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL874394 0.78 PPARG (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7232475 0.77 MMP2 (0.82) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7378575 0.75 MMP2 (0.59) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267102-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-01 US disclosed
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-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

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-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-20050267102-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids MMP20, ADAMTS5, MMP10 MMP2 21/4885MMP3 32/4885MMP9 19/4885
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.