SCHEMBL3047732

SCHEMBL3047732

C[C@@H](C(=O)CC(O)C(=O)OC(C)(C)C)N(C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ACHE P22303 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL3050780 0.86 GAA (0.54) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL27548321 0.81 GAA (0.56) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL3047730 0.78 GAA (0.52) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL25181638 0.74 GAA (0.71) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL22013867 0.74 ALDH1A1 (0.51) GAAALDH1A1SMN1; SMN2MAPTADRB2
SCHEMBL29101053 0.74 ALDH1A1 (0.51) GAAALDH1A1SMN1; SMN2MAPTADRB2
SCHEMBL3050779 0.73 GAA (0.56) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL27548338 0.72 GAA (0.50) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL11718169 0.71 GAA (0.46) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL19871006 0.70 MGLL (0.52) GAAALDH1A1SMN1; SMN2HTR2ABCL9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772190-B2 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER ANIMAL HEALTH GMBH (DE) 2010-08-10 US disclosed
US-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-19 US disclosed
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 US 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 (2 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-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same VIP, NGLY1, NPEPPS GAA 473/4885ALDH1A1 4873/4885SMN1; SMN2 4170/4885
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME VIP, NGLY1, NPEPPS GAA 479/4885ALDH1A1 4871/4885SMN1; SMN2 4028/4885

“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.