SCHEMBL19699296

SCHEMBL19699296

COC(=O)[C@H](N)Cc1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.54
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
IDO1 P14902 2/20 0.45
MAOB P27338 2/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
F10 P00742 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL6218675 1.00 SLC7A5 (0.54) SLC7A5ALDH1A1POLBIDO1MAOB
SCHEMBL28637433 1.00 SLC7A5 (0.54) SLC7A5ALDH1A1POLBIDO1MAOB
Hydrochloric Acid SCHEMBL32677180 0.98 SLC7A5 (0.52) SLC7A5ALDH1A1POLBIDO1MAOB
Hydrochloric Acid SCHEMBL32676955 0.98 SLC7A5 (0.52) SLC7A5ALDH1A1POLBIDO1MAOB
Hydrochloric Acid SCHEMBL32676895 0.98 SLC7A5 (0.52) SLC7A5ALDH1A1POLBIDO1MAOB
SCHEMBL27762534 0.88 ALDH1A1 (0.50) SLC7A5ALDH1A1POLBIDO1MAOB
SCHEMBL20543766 0.88 ALDH1A1 (0.50) SLC7A5ALDH1A1POLBIDO1MAOB
SCHEMBL21117864 0.88 ALDH1A1 (0.50) SLC7A5ALDH1A1POLBIDO1MAOB
SCHEMBL13344379 0.86 MAOB (0.61) ALDH1A1POLBMAOB
SCHEMBL28940615 0.85 TAAR1 (0.47) ALDH1A1POLBIDO1

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 SLC7A5 1616/4885ALDH1A1 2381/4885POLB 4138/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 SLC7A5 1864/4885ALDH1A1 1908/4885POLB 3866/4885

“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.