SCHEMBL6300445

SCHEMBL6300445

CCOCOC[C@@H](C[C@@H](COC)C(=O)NO)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP2 P08253 5/20 0.38
MMP3 P08254 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSG P08311 3/20 0.35
PRSS1 P07477 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35
PPARG P37231 1/20 0.35
MMP9 P14780 4/20 0.35
MMP12 P39900 4/20 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
SCHEMBL6298332 1.00 MEN1 (0.40) MEN1KMT2AMMP2MMP3L3MBTL1
SCHEMBL6298330 1.00 MEN1 (0.40) MEN1KMT2AMMP2MMP3L3MBTL1
SCHEMBL6304934 0.94 MEN1 (0.41) MEN1KMT2AMMP2MMP3L3MBTL1
SCHEMBL6304931 0.94 MEN1 (0.41) MEN1KMT2AMMP2MMP3L3MBTL1
SCHEMBL7742558 0.93 MEN1 (0.41) MEN1KMT2AMMP2MMP3L3MBTL1
SCHEMBL7742562 0.93 MEN1 (0.41) MEN1KMT2AMMP2MMP3L3MBTL1
SCHEMBL7739337 0.90 MEN1 (0.40) MEN1KMT2AMMP2MMP3L3MBTL1
SCHEMBL7739341 0.90 MEN1 (0.40) MEN1KMT2AMMP2MMP3L3MBTL1
SCHEMBL6304829 0.90 MEN1 (0.41) MEN1KMT2ATAS1R3TAS1R1KDM4E
SCHEMBL6298307 0.90 MEN1 (0.41) MEN1KMT2ATAS1R3TAS1R1KDM4E

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 6 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
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 MEN1 3341/4885KMT2A 1786/4885MMP2 114/4885

“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.