SCHEMBL8028382

SCHEMBL8028382

O=C(CI)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
▸ GAA P10253 2/20 0.57
▸ GFER P55789 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ESRRG P62508 4/20 0.56
▸ ESRRB O95718 3/20 0.56
▸ ST14 Q9Y5Y6 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.49
▸ PLAAT3 P53816 1/20 0.49
▸ PLAAT5 Q96KN8 1/20 0.49
▸ PLAAT2 Q9NWW9 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
SCHEMBL28747980 0.87 KDM4E (0.65) KDM4EF13A1GAAGFERNPC1
SCHEMBL14370357 0.86 KDM4E (0.69) KDM4EF13A1GAAGFERNPC1
SCHEMBL1329289 0.83 HDAC2 (0.60) GAANPC1RAB9ASMN1; SMN2PLAAT5
SCHEMBL2191045 0.83 KDM4E (0.65) KDM4EF13A1GAAGFERNPC1
SCHEMBL4161209 0.83 ESRRB (0.77) KDM4EF13A1GAAGFERNPC1
SCHEMBL2379821 0.83 KDM4E (0.65) KDM4EF13A1GAAGFERNPC1
SCHEMBL23700596 0.81 KDM4E (0.62) KDM4EF13A1GAAGFERNPC1
SCHEMBL6424890 0.81 KDM4E (0.62) KDM4EF13A1GAAGFERNPC1
SCHEMBL6425050 0.81 KDM4E (0.62) KDM4EF13A1GAAGFERNPC1
SCHEMBL21377225 0.81 KDM4E (0.62) KDM4EF13A1GAAGFERNPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000077520-A1 LABELLING OF PEPTIDES AND PROTEINS PROTEOSYS AG (DE) 2000-12-21 — — WO claimed
EP-1059531-A1 Labelling of peptides and proteins Nordheim, Alfred, Prof. Dr. (DE) 2000-12-13 — — EP claimed
CN-117980737-A Identification method of active sulfur 公立大学法人大阪 2024-05-03 — — CN disclosed
EP-4343325-A1 BIOMARKER FOR INFECTIOUS DISEASE Tohoku University (JP) 2024-03-27 — — EP disclosed
US-20240084342-A1 CYSTEINE POLYSULFIDATION AND MITOCHONDRIAL BIOENERGETICS REGULATED BY CYSTEINYL-tRNA SYNTHETASE TOHOKU UNIVERSITY (JP) 2024-03-14 — — US disclosed
US-20240085401-A1 BIOMARKER FOR INFECTIOUS DISEASE Bio-Xcelerator, Inc. (JP) 2024-03-14 — — US disclosed
CN-117586160-A Sulfur-containing prodrug compound and medical application thereof 中国药科大学 2024-02-23 — — CN disclosed
CN-117589892-A Method for quantitative determination of active sulfur 株式会社岛津制作所 2024-02-23 — — CN disclosed
US-20240053306-A1 QUANTITATIVE DETERMINATION METHOD FOR REACTIVE SULFUR SHIMADZU CORPORATION (JP) 2024-02-15 — — 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-20230147021-A1 POLYSULFIDE STABILIZATION UNIVERSITY PUBLIC CORPORATION OSAKA (JP) 2023-05-11 — — 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
EP-4112597-A1 STABILIZATION OF POLYSULFIDE University Public Corporation Osaka (JP) 2023-01-04 — — EP disclosed
CN-115515928-A Stabilization of polysulfides 公立大学法人大阪 2022-12-23 — — CN disclosed
US-20220127584-A1 Reactive persulfides mediate sulfur respiration in mitochondria via sulfide:quinone oxidoreductase TOHOKU UNIVERSITY (JP) 2022-04-28 — — US disclosed
US-20210403963-A1 CYSTEINE POLYSULFIDATION AND MITOCHONDRIAL BIOENERGETICS REGULATED BY CYSTEINYL-tRNA SYNTHETASE TOHOKU UNIVERSITY (JP) 2021-12-30 — — 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-20200270655-A1 CYSTEINE POLYSULFIDATION AND MITOCHONDRIAL BIOENERGETICS REGULATED BY CYSTEINYL-tRNA SYNTHETASE AKAIKE, TAKAAKI (JP) 2020-08-27 — — US disclosed
WO-2000077520-A1 LABELLING OF PEPTIDES AND PROTEINS PROTEOSYS AG (DE) 2000-12-21 — — WO disclosed
EP-1059531-A1 Labelling of peptides and proteins Nordheim, Alfred, Prof. Dr. (DE) 2000-12-13 — — EP 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 (4 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-20230147021-A1 POLYSULFIDE STABILIZATION YWHAZ, YWHAH, PTPN21 KDM4E 607/4885F13A1 1050/4885GAA 456/4885
US-20210238134-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE CTH, DOHH, HAGH KDM4E 4672/4885F13A1 2960/4885GAA 3776/4885
US-20230242479-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE CTH, DOHH, HAGH KDM4E 4672/4885F13A1 2960/4885GAA 3776/4885
US-11584712-B2 Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide CTH, DOHH, HAGH KDM4E 4672/4885F13A1 2960/4885GAA 3776/4885

“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.

Send feedback