SCHEMBL6907228

SCHEMBL6907228

COC(=O)CCCSC(=S)NCc1coc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
PSMB5 P28074 10/20 0.41
PSMB8 P28062 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6907319 0.81 IDO1 (0.51) LMNAPOLBKDM4EMAOB
SCHEMBL6905963 0.79 POLB (0.47) CA2POLBTP53
SCHEMBL6909248 0.79 MAOB (0.40) PSMB5L3MBTL1LMNAKDM4EMAOB
SCHEMBL6907230 0.77 KDM4E (0.37) PSMB5PSMB8L3MBTL1LMNAPOLB
SCHEMBL6909461 0.77 ALDH1A1 (0.41) LMNAPOLB
SCHEMBL6908564 0.75 POLB (0.51) LMNAPOLBKDM4E
SCHEMBL11496733 0.74 MAPT (0.54) LMNA
SCHEMBL6909193 0.74 KMT2A (0.50) L3MBTL1KDM4E
SCHEMBL6909741 0.73 LMNA (0.43) L3MBTL1LMNATP53
SCHEMBL6903478 0.72 ALDH1A1 (0.44) LMNA

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 CA2 1760/4885PSMB5 4300/4885PSMB8 4179/4885

“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.