SCHEMBL6300644

SCHEMBL6300644

COCCOCOCC(CC(C)C(=O)NO)N(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
GCK P35557 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
HTT P42858 1/20 0.34
USP21 Q9UK80 1/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL7739823 0.90 ADRB2 (0.37) MAPTALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL6304329 0.90 CRHBP (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7739829 0.90 ADRB2 (0.37) MAPTALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL6300641 0.87 ADRB2 (0.35) MAPTALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL6300649 0.87 ADRB2 (0.35) MAPTALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL7740164 0.85 CRHBP (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7740168 0.85 CRHBP (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6299531 0.83 CRHBP (0.41) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7742500 0.81 CRHBP (0.42) ALDH1A1SMN1; SMN2
SCHEMBL7742502 0.81 CRHBP (0.42) ALDH1A1SMN1; SMN2

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 MAPT 1172/4885ALDH1A1 348/4885SMN1; SMN2 3556/4885

“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.