SCHEMBL6305384

SCHEMBL6305384

C=CCOC[C@@H](C[C@@H](COCOCC)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAOB P27338 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 2/20 0.33
USP21 Q9UK80 1/20 0.33

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
SCHEMBL6305377 1.00 MAPT (0.37) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL6298026 0.92 MAPT (0.41) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL6298024 0.92 MAPT (0.41) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL7740371 0.91 MAPT (0.38) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL6903026 0.91 NPC1 (0.39) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL6304626 0.91 NPC1 (0.39) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL7740375 0.91 MAPT (0.38) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL6298320 0.88 USP21 (0.40) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL6298324 0.88 USP21 (0.40) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL7740508 0.88 USP21 (0.40) MAPTALDH1A1KDM4EGAANPC1

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 5 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-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 MAPT 1172/4885ALDH1A1 348/4885KDM4E 3445/4885

“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.