SCHEMBL22015680

SCHEMBL22015680

COC(=O)[C@@H](N)C[S+]([O-])C(C)S

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL22015839 0.85 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL22015934 0.85 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL22016025 0.79 SLC7A5 (0.43) —
SCHEMBL20077209 0.77 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL22015691 0.75 THRB (0.37) SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL23089886 0.71 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL22015679 0.70 ZDHHC7 (0.46) —
Mecysteine SCHEMBL1681698 0.68 — —
Mecysteine SCHEMBL21034 0.68 — —
Mecysteine SCHEMBL94255 0.68 — —

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-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine EPICENTRX, INC. (US) 2021-05-18 — — US disclosed
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE EPICENTRX, INC. 2020-05-21 — — 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-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine AS3MT, SLC10A6, SLCO1B3 SMN1; SMN2 123/4885ALDH1A1 2681/4885MAPT 1040/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 SMN1; SMN2 123/4885ALDH1A1 2681/4885MAPT 1040/4885

“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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