SCHEMBL23700596

SCHEMBL23700596

O=C(CS)NCCc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
F13A1 P00488 1/20 0.62
ESRRB O95718 2/20 0.56
ESRRG P62508 2/20 0.56
GAA P10253 2/20 0.53
GFER P55789 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
PLAAT3 P53816 1/20 0.49

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
SCHEMBL14370357 0.86 KDM4E (0.69) KDM4EF13A1ESRRBESRRGGAA
SCHEMBL4161209 0.83 ESRRB (0.77) KDM4EF13A1ESRRBESRRGGAA
SCHEMBL2191045 0.83 KDM4E (0.65) KDM4EF13A1ESRRBESRRGGAA
SCHEMBL28747980 0.83 KDM4E (0.65) KDM4EF13A1ESRRBESRRGGAA
SCHEMBL2379821 0.83 KDM4E (0.65) KDM4EF13A1ESRRBESRRGGAA
SCHEMBL5807537 0.83 HDAC3 (0.60) GAANPC1RAB9ASMN1; SMN2CA1
SCHEMBL6976868 0.81 CA1 (0.66) KDM4EF13A1ESRRBESRRGGAA
SCHEMBL21377225 0.81 KDM4E (0.62) KDM4EF13A1ESRRBESRRGGAA
SCHEMBL6425050 0.81 KDM4E (0.62) KDM4EF13A1ESRRBESRRGGAA
SCHEMBL6424890 0.81 KDM4E (0.62) KDM4EF13A1ESRRBESRRGGAA

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 6 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-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-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
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 KDM4E 4672/4885F13A1 2960/4885ESRRB 2505/4885
US-20230242479-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE CTH, DOHH, HAGH KDM4E 4672/4885F13A1 2960/4885ESRRB 2505/4885
US-11584712-B2 Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide CTH, DOHH, HAGH KDM4E 4672/4885F13A1 2960/4885ESRRB 2505/4885

“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.