SCHEMBL23730611

SCHEMBL23730611

COC(=O)C(CC(C)(C)C)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GRN P28799 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34

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
SCHEMBL22355146 0.82 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL16841994 0.81 KDM4E (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL18472607 0.81 KDM4E (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL17070598 0.79 CTSS (0.40) SMN1; SMN2KDM4EMAPTALDH1A1CA1
SCHEMBL16406515 0.79 CA2 (0.34) SMN1; SMN2MAPTALDH1A1GRNSORT1
SCHEMBL3049273 0.79 CTSK (0.47) NFKB1CA1CA2CA12CA7
SCHEMBL2367410 0.79 CTSK (0.47) NFKB1CA1CA2CA12CA7
SCHEMBL16841996 0.79 MAPT (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13974014 0.79 MAPT (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL8820895 0.79 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-20230242479-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE THE JOHNS HOPKINS UNIVERSTY 2023-08-03 — — US disclosed
US-11584712-B2 Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide THE JOHNS HOPKINS UNIVERSITY (US) 2023-02-21 — — US disclosed
US-20210238134-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE NATIONAL SCIENCE FOUNDATION 2021-08-05 — — 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 (3 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-20210238134-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE CTH, DOHH, HAGH SMN1; SMN2 1126/4885KDM4E 4672/4885MAPT 4872/4885
US-20230242479-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE CTH, DOHH, HAGH SMN1; SMN2 1126/4885KDM4E 4672/4885MAPT 4872/4885
US-11584712-B2 Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide CTH, DOHH, HAGH SMN1; SMN2 1126/4885KDM4E 4672/4885MAPT 4872/4885

“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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