SCHEMBL6299603

SCHEMBL6299603

COC(C)OCOC[C@H](C[C@H](C)C(=O)OCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MME P08473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
CTSL P07711 2/20 0.40
BACE1 P56817 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
USP21 Q9UK80 1/20 0.39

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
SCHEMBL6299593 1.00 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6299600 0.89 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6299595 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6299536 0.82 CRHBP (0.41) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6299527 0.82 CRHBP (0.41) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7734828 0.75 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7734825 0.75 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7741112 0.74 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7741115 0.74 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7740185 0.72 NPC1 (0.46) RAB9ANPC1SMN1; SMN2TP53MAPT

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 RAB9A 2326/4885NPC1 3525/4885SMN1; 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.