SCHEMBL6300430

SCHEMBL6300430

C#CCOCC(CC(COCOCC)NC(=O)c1ccc(Cl)cc1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP12 P39900 4/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
TRPA1 O75762 1/20 0.32
RAB9A P51151 1/20 0.32
MME P08473 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL6300434 1.00 HTT (0.43) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL6300436 0.90 HTT (0.44) HTTSMN1; SMN2KDM4ELMNAGAA
SCHEMBL6905607 0.90 HTT (0.44) HTTSMN1; SMN2KDM4ELMNAGAA
SCHEMBL7740746 0.90 HTT (0.44) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL7740748 0.90 HTT (0.44) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL6298282 0.87 MAPT (0.37) HTTSMN1; SMN2KDM4ELMNAGAA
SCHEMBL6298281 0.87 MAPT (0.37) HTTSMN1; SMN2KDM4ELMNAGAA
SCHEMBL6300358 0.87 HTT (0.47) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL6300364 0.87 HTT (0.47) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL7742616 0.87 HTT (0.47) HTTSMN1; SMN2MMP2MMP9MMP12

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
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 HTT 3425/4885SMN1; SMN2 3556/4885MMP2 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.