SCHEMBL3050779

SCHEMBL3050779

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACHE P22303 2/20 0.42
SLC6A4 P31645 2/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
HTR2A P28223 1/20 0.40
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL3047730 0.87 GAA (0.52) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL25181638 0.79 GAA (0.71) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL27548321 0.77 GAA (0.56) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL3050780 0.75 GAA (0.54) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL21410733 0.74 GAA (0.71) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL3047732 0.73 GAA (0.49) GAAALDH1A1SMN1; SMN2ACHESLC6A4
4-Nitrophenyl Dimethylcarbamate SCHEMBL8648791 0.73 GAA (1.00) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL28790843 0.70 GAA (0.70) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL5685316 0.69 SMN1; SMN2 (1.00) GAAALDH1A1SMN1; SMN2BCL9CTNNB1
SCHEMBL8610518 0.69 GAA (0.55) GAAALDH1A1SMN1; SMN2BCL9CTNNB1

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.