SCHEMBL6299580

SCHEMBL6299580

CN(C(=O)c1ccc(Br)s1)C(CO)CC(Cc1ccccc1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.43
LTA4H P09960 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
FCER2 P06734 1/20 0.38
HDAC4 P56524 2/20 0.38
MME P08473 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
HSD17B2 P37059 2/20 0.36
HDAC2 Q92769 1/20 0.36
HSD17B1 P14061 1/20 0.36
MMP8 P22894 2/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35

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
SCHEMBL6299584 1.00 ACKR3 (0.43) ACKR3LTA4HMEN1KMT2AHDAC3
SCHEMBL7739612 0.82 LTA4H (0.43) LTA4HMEN1KMT2AHDAC3HDAC1
SCHEMBL7739608 0.82 LTA4H (0.43) LTA4HMEN1KMT2AHDAC3HDAC1
SCHEMBL7740614 0.76 CRHBP (0.50) LTA4HMEN1KMT2AFCER2MMP1
SCHEMBL7740613 0.76 CRHBP (0.50) LTA4HMEN1KMT2AFCER2MMP1
SCHEMBL12495959 0.73 HDAC4 (0.64) ACKR3MEN1KMT2AHDAC3HDAC1
SCHEMBL6305546 0.70 MMP2 (0.46) MEN1KMT2AHDAC3MMP2MMP9
SCHEMBL6305545 0.70 MMP2 (0.46) MEN1KMT2AHDAC3MMP2MMP9
SCHEMBL7740143 0.69 HSD17B2 (0.46) MEN1KMT2AHDAC1HDAC8MMP2
SCHEMBL7740119 0.69 MAPT (0.40) ACKR3MEN1KMT2AHDAC3HDAC1

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-6924307-B2 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US claimed
US-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient TAKAHASHI KANJI (JP) 2004-01-01 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 ACKR3 1628/4885LTA4H 1282/4885MEN1 3341/4885

“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.