SCHEMBL6299671

SCHEMBL6299671

COC(=O)CC[C@H](C(=O)O)N(C=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
FOLH1 Q04609 2/20 0.40
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LTA4H P09960 1/20 0.38
ABCB1 P08183 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKT1 P31749 1/20 0.36
SLC1A1 P43005 3/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6298147 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAFOLH1CA12
SCHEMBL6955548 0.87 FOLH1 (0.46) FOLH1LTA4HSLC1A1SLC1A3SLC1A2
SCHEMBL27577506 0.87 L3MBTL1 (0.40) FOLH1LTA4H
SCHEMBL7741119 0.87 L3MBTL1 (0.40) FOLH1LTA4H
SCHEMBL7734983 0.86 LTA4H (0.43) ALDH1A1KDM4ELMNALTA4H
SCHEMBL8910551 0.82 PTGES (0.42)
SCHEMBL16166282 0.81 SLC1A3 (0.41) ALDH1A1LMNATDP1SLC1A1SLC1A3
SCHEMBL7515528 0.81 SLC1A3 (0.38) ALDH1A1FOLH1LTA4HSLC1A1SLC1A3
SCHEMBL10686536 0.80 CYP1A2 (0.43) FOLH1SLC1A1SLC1A3SLC1A2MEN1
SCHEMBL11051963 0.79 MAOB (0.48) ALDH1A1KDM4ELMNAABCB1

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 4 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 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 ALDH1A1 348/4885KDM4E 3445/4885LMNA 4149/4885

“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.