SCHEMBL6300436

SCHEMBL6300436

C#CCOC[C@@H](C[C@@H](COCOCC)NC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MME P08473 2/20 0.39
EPHX2 P34913 2/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
IDO1 P14902 1/20 0.32
CA2 P00918 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
IRAK1 P51617 1/20 0.32

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
SCHEMBL6905607 1.00 HTT (0.44) HTTMMEEPHX2PPARGKDM4E
SCHEMBL6300430 0.90 HTT (0.43) HTTMMEEPHX2KDM4EGAA
SCHEMBL6300434 0.90 HTT (0.43) HTTMMEEPHX2KDM4EGAA
SCHEMBL7739809 0.90 HTT (0.46) HTTMMEEPHX2PPARGKDM4E
SCHEMBL7739814 0.90 HTT (0.46) HTTMMEEPHX2PPARGKDM4E
SCHEMBL6298359 0.87 NPC1 (0.39) HTTKDM4EGAASMN1; SMN2LMNA
SCHEMBL6906243 0.87 NPC1 (0.39) HTTKDM4EGAASMN1; SMN2LMNA
SCHEMBL7739744 0.87 HTT (0.49) HTTMMEEPHX2PPARGKDM4E
SCHEMBL6299559 0.87 HTT (0.49) HTTMMEEPHX2PPARGKDM4E
SCHEMBL6299563 0.87 HTT (0.49) HTTMMEEPHX2PPARGKDM4E

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 HTT 3425/4885MME 1862/4885EPHX2 3456/4885

“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.