SCHEMBL3058032

SCHEMBL3058032

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL3046496 0.82 CA14 (0.36) CA12CA14
SCHEMBL8708108 0.81 KMT2A (0.39) CYP2D6CA1CA2CA7
SCHEMBL8893788 0.80 CTSS (0.40) CYP2D6CA2
SCHEMBL27526872 0.79 NOS1 (0.37) CYP2D6CA1CA2CA7NOS1
SCHEMBL3725616 0.77 CA12 (0.42) CYP2D6CA12CA14CA1CA2
SCHEMBL3725618 0.77 CA12 (0.42) CYP2D6CA12CA14CA1CA2
SCHEMBL3728417 0.77 CA12 (0.42) CYP2D6CA12CA14CA1CA2
Hydrochloric Acid SCHEMBL18342541 0.75 CA12 (0.41) CYP2D6CA12CA14CA1CA2
Hydrochloric Acid SCHEMBL5753572 0.75 CA12 (0.41) CYP2D6CA12CA14CA1CA2
Hydrochloric Acid SCHEMBL31645354 0.75 CA12 (0.41) CYP2D6CA12CA14CA1CA2

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-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
US-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 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 CYP2D6 2058/4885CA12 3258/4885CA14 2626/4885
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME VIP, NGLY1, NPEPPS CYP2D6 1917/4885CA12 3175/4885CA14 2505/4885

“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.