SCHEMBL3046496

SCHEMBL3046496

CN[C@@H](C)C(=O)CC(O)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3058032 0.82 CYP2D6 (0.36) CA14CA12
SCHEMBL3050975 0.79 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL27529627 0.78 SMN1; SMN2 (0.35) CA14SMN1; SMN2CA12KMT2AMEN1
SCHEMBL11103163 0.78 ZDHHC7 (0.36) CA14SMN1; SMN2CA12KMT2A
SCHEMBL8497725 0.73 CA1 (0.47) SMN1; SMN2KMT2ATSHR
SCHEMBL24060748 0.73 ALDH1A1 (0.43) SMN1; SMN2
SCHEMBL801212 0.73
SCHEMBL238192 0.73
SCHEMBL709174 0.73
SCHEMBL1823637 0.72 TSHR (0.43) CA14SMN1; SMN2CA12KMT2AMEN1

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 CA14 2626/4885SMN1; SMN2 4170/4885CA12 3258/4885
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME VIP, NGLY1, NPEPPS CA14 2505/4885SMN1; SMN2 4028/4885CA12 3175/4885

“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.