SCHEMBL23700720

SCHEMBL23700720

NC(=O)C(N)CCc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
CA2 P00918 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR3A P46098 1/20 0.47
BACE1 P56817 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 2/20 0.43

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
SCHEMBL1586370 0.89 SLC7A5 (0.49) SLC7A5CA2ESR1ESR2TAAR1
SCHEMBL1586369 0.89 SLC7A5 (0.49) SLC7A5CA2ESR1ESR2TAAR1
SCHEMBL8689779 0.87 SLC7A5 (0.47) SLC7A5CA2ESR1ESR2TAAR1
SCHEMBL1768639 0.85 SLC7A5 (0.67) SLC7A5CA2ESR1ESR2TAAR1
SCHEMBL1666620 0.85 SLC7A5 (0.67) SLC7A5CA2ESR1ESR2TAAR1
SCHEMBL9394667 0.85 SLC7A5 (0.67) SLC7A5CA2ESR1ESR2TAAR1
Bromide SCHEMBL29399073 0.83 SLC7A5 (0.65) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL29714755 0.83 SLC7A5 (0.55) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL23762403 0.83 SLC7A5 (0.55) SLC7A5ESR1ESR2TAAR1SLC6A2
Bromide SCHEMBL919214 0.83 SLC7A5 (0.65) SLC7A5ESR1ESR2TAAR1SLC6A2

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 SLC7A5 293/4885CA2 780/4885ESR1 4223/4885
US-20230242479-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE CTH, DOHH, HAGH SLC7A5 293/4885CA2 780/4885ESR1 4223/4885
US-11584712-B2 Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide CTH, DOHH, HAGH SLC7A5 293/4885CA2 780/4885ESR1 4223/4885

“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.