SCHEMBL20718367

SCHEMBL20718367

CN(C)C(=O)CC(S)CSS

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31

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
SCHEMBL19910614 0.72 — —
SCHEMBL6584271 0.70 — —
SCHEMBL18782792 0.67 — —
SCHEMBL21085000 0.67 CHRM1 (0.31) —
SCHEMBL801270 0.64 — —
SCHEMBL1615790 0.62 — —
SCHEMBL3907850 0.62 — —
SCHEMBL18461960 0.62 — —
SCHEMBL3096327 0.62 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL1615800 0.62 CHRNB2 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758634-B2 Compounds, compositions and associated methods using zirconium-89 in immuno-positron emission tomography WAKE FOREST UNIVERSITY (US) 2020-09-01 — — US disclosed
US-20190038785-A1 COMPOUNDS, COMPOSITIONS AND ASSOCIATED METHODS USING ZIRCONIUM-89 IN IMMUNO-POSITRON EMISSION TOMOGRAPHY WAKE FOREST UNIVERSITY 2019-02-07 — — 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-10758634-B2 Compounds, compositions and associated methods using zirconium-89 in immuno-positron emission tomography PAICS, IKZF2, ZRANB2 ALDH1A1 4475/4885CHRNB2 3763/4885CHRNB4 3741/4885
US-20190038785-A1 COMPOUNDS, COMPOSITIONS AND ASSOCIATED METHODS USING ZIRCONIUM-89 IN IMMUNO-POSITRON EMISSION TOMOGRAPHY PAICS, IKZF2, ZRANB2 ALDH1A1 4475/4885CHRNB2 3763/4885CHRNB4 3741/4885

“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.

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