SCHEMBL19699429

SCHEMBL19699429

COC(=O)[C@H](N)CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC1A1 P43005 1/20 0.32
LTA4H P09960 2/20 0.32
BTN3A1 O00481 1/20 0.31
KIF11 P52732 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
SCHEMBL1067509 1.00 IDO1 (0.34) IDO1CA1CA2SLC1A1LTA4H
SCHEMBL30980082 1.00 IDO1 (0.34) IDO1CA1CA2SLC1A1LTA4H
SCHEMBL1067514 1.00 IDO1 (0.34) IDO1CA1CA2SLC1A1LTA4H
SCHEMBL3616995 0.83 BTN3A1 (0.32) CA1CA2BTN3A1KIF11
SCHEMBL2763848 0.83 BTN3A1 (0.32) CA1CA2BTN3A1KIF11
SCHEMBL490891 0.83 NOS3 (0.41) SLC1A1
SCHEMBL10679170 0.83 BTN3A1 (0.32) CA1CA2BTN3A1KIF11
SCHEMBL191235 0.83 NOS3 (0.41) SLC1A1
SCHEMBL191236 0.83 NOS3 (0.41) SLC1A1
SCHEMBL734855 0.81 CA1 (0.33) CA1CA2BTN3A1

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-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO 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-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 IDO1 390/4885CA1 292/4885CA2 239/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 IDO1 368/4885CA1 177/4885CA2 183/4885

“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.