SCHEMBL6305545

SCHEMBL6305545

CN(C(=O)c1ccc(Br)cc1)C(CO)CC(CCCc1ccccc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.46
MMP9 P14780 8/20 0.46
MMP1 P03956 8/20 0.46
MMP3 P08254 7/20 0.46
MMP8 P22894 5/20 0.46
HSP90AA1 P07900 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
MMP14 P50281 3/20 0.41
HDAC3 O15379 1/20 0.41
TSHR P16473 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MMP7 P09237 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
SCHEMBL6305546 1.00 MMP2 (0.46) MMP2MMP9MMP1MMP3MMP8
SCHEMBL6299582 0.88 CRHBP (0.49) MMP2MMP9MMP1MMP3MMP8
SCHEMBL6299579 0.88 CRHBP (0.49) MMP2MMP9MMP1MMP3MMP8
SCHEMBL7739612 0.87 LTA4H (0.43) MMP2MMP9HSP90AA1KMT2AMEN1
SCHEMBL7739608 0.87 LTA4H (0.43) MMP2MMP9HSP90AA1KMT2AMEN1
SCHEMBL6305496 0.78 HDAC3 (0.35) HDAC3
SCHEMBL6305494 0.78 HDAC3 (0.35) HDAC3
SCHEMBL7740143 0.77 HSD17B2 (0.46) MMP2MMP9MMP1MMP8KMT2A
SCHEMBL7740669 0.77 MMP2 (0.40) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7740614 0.75 CRHBP (0.50) MMP1KMT2AMEN1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient TAKAHASHI KANJI (JP) 2004-01-01 US claimed
US-6569899-B1 Such as 5-ethoxymethoxy-4(S)-(N-(4-iodophenylcarbonyl)amino) pentanoic acid methyl ester for inhibiting matrix metalloproteinase; for treatment of rheumatoid diseases, arthrosteitis, osteoarthritis, and osteoporosis ONO PHARMACEUTICALS CO., LTD. (JP) 2003-05-27 US claimed
EP-1167346-A1 4-AMINOBUTANOIC ACID DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-01-02 EP claimed
US-6924307-B2 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient TAKAHASHI KANJI (JP) 2004-01-01 US disclosed
US-6569899-B1 Such as 5-ethoxymethoxy-4(S)-(N-(4-iodophenylcarbonyl)amino) pentanoic acid methyl ester for inhibiting matrix metalloproteinase; for treatment of rheumatoid diseases, arthrosteitis, osteoarthritis, and osteoporosis ONO PHARMACEUTICALS CO., LTD. (JP) 2003-05-27 US disclosed
EP-1167346-A1 4-AMINOBUTANOIC ACID DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-01-02 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 (1 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-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient GABBR1, GABRB1, GABBR2 MMP2 114/4885MMP9 39/4885MMP1 24/4885

“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.