SCHEMBL6909270

SCHEMBL6909270

COC(=O)CCCSC(=S)N(C)c1cnccn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
TBXAS1 P24557 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
MAPK14 Q16539 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL6909195 0.83 ALDH1A1 (0.45) LTA4HALDH1A1RAB9AMEN1KMT2A
SCHEMBL6903481 0.81 ALDH1A1 (0.42) LTA4HALDH1A1RAB9AMEN1KMT2A
SCHEMBL6909266 0.74 BTK (0.41) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6909742 0.71 LTA4H (0.40) LTA4HALDH1A1RAB9AMEN1KMT2A
SCHEMBL6908568 0.71 L3MBTL1 (0.42) LTA4HALDH1A1RAB9AMEN1KMT2A
SCHEMBL6902736 0.70 LTA4H (0.34) LTA4HALDH1A1RAB9AMEN1KMT2A
SCHEMBL6909464 0.70 L3MBTL1 (0.34) LTA4HALDH1A1RAB9AMEN1KMT2A
SCHEMBL6908589 0.70 LTA4H (0.39) LTA4HALDH1A1RAB9AMEN1KMT2A
SCHEMBL12923193 0.67 TSHR (0.44) LTA4HALDH1A1SMN1; SMN2LMNAHDAC6
SCHEMBL6909252 0.66 MAOB (0.40) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2

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 LTA4H 1855/4885ALDH1A1 327/4885RAB9A 4408/4885

“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.