SCHEMBL6907230

SCHEMBL6907230

COC(=O)CCCSC(=S)N(C)c1coc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LTA4H P09960 1/20 0.36
MAOB P27338 4/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
PSMB8 P28062 2/20 0.34
PSMB5 P28074 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL6905964 0.78 PKM (0.37) ALDH1A1MAPTHPGDRAB9AMEN1
SCHEMBL6907228 0.77 CA2 (0.41) KDM4EMAOBPOLBLMNAPSMB8
SCHEMBL6909252 0.76 MAOB (0.40) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL6909464 0.74 L3MBTL1 (0.34) ALDH1A1MAPTHPGDRAB9AMEN1
SCHEMBL6909195 0.73 ALDH1A1 (0.45) ALDH1A1RAB9AMEN1KMT2ALTA4H
SCHEMBL6903481 0.73 ALDH1A1 (0.42) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6908568 0.72 L3MBTL1 (0.42) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6908589 0.71 LTA4H (0.39) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL6909742 0.70 LTA4H (0.40) ALDH1A1MAPTHPGDRAB9AMEN1
SCHEMBL6903538 0.70 MAPT (0.41) ALDH1A1MAPTRAB9AMEN1KMT2A

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-20030176496-A1 Administering an antiproliferative agent in combination with a potentiating effective amount of a N- substituted dithiocarbamate ester or a pharmaceutically acceptable salt thereof ATHEROGENICS, INC. (US) 2003-09-18 US claimed
EP-1282445-A2 N-SUBSTITUTED DITHIOCARBAMATES FOR THE TREATMENT OF BIOLOGICAL DISORDERS Atherogenics, Inc. (US) 2003-02-12 EP claimed
WO-2001079164-A2 N-SUBSTITUTED DITHIOCARBAMATES FOR THE TREATMENT OF BIOLOGICAL DISORDERS ATHEROGENICS, INC. (US) 2001-10-25 WO claimed
US-6747061-B2 ADMINISTERING AN ANTIPROLIFERATIVE AGENT IN COMBINATION WITH A POTENTIATING EFFECTIVE AMOUNT OF A N- SUBSTITUTED DITHIOCARBAMATE ESTER OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ATHEROGENICS, INC. 2004-06-08 US disclosed
EP-1282445-A2 N-SUBSTITUTED DITHIOCARBAMATES FOR THE TREATMENT OF BIOLOGICAL DISORDERS Atherogenics, Inc. (US) 2003-02-12 EP disclosed
WO-2001079164-A2 N-SUBSTITUTED DITHIOCARBAMATES FOR THE TREATMENT OF BIOLOGICAL DISORDERS ATHEROGENICS, INC. (US) 2001-10-25 WO 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 (1 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-20030176496-A1 Administering an antiproliferative agent in combination with a potentiating effective amount of a N- substituted dithiocarbamate ester or a pharmaceutically acceptable salt thereof VCAM1, MKI67, SELL KDM4E 2751/4885ALDH1A1 327/4885MAPT 4356/4885

“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.