SCHEMBL3047730

SCHEMBL3047730

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 2/20 0.40
SLC6A4 P31645 2/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
HTR2A P28223 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL3050779 0.87 GAA (0.56) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL27548321 0.81 GAA (0.56) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL3047732 0.78 GAA (0.49) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL25181638 0.76 GAA (0.71) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL27548338 0.72 GAA (0.50) GAAALDH1A1SMN1; SMN2BCL9CTNNB1
SCHEMBL7329621 0.71 GAA (0.52) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL21410733 0.71 GAA (0.71) GAAALDH1A1SMN1; SMN2ACHESLC6A4
SCHEMBL1461897 0.71 ELANE (0.60) GAAALDH1A1SMN1; SMN2BCL9CTNNB1
SCHEMBL27818584 0.71 GAA (0.50) GAAALDH1A1SMN1; SMN2BCL9CTNNB1
SCHEMBL3050780 0.70 GAA (0.54) GAAALDH1A1SMN1; SMN2ACHESLC6A4

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.