SCHEMBL6905964

SCHEMBL6905964

COC(=O)CCCSC(=S)N(C)c1csc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LTA4H P09960 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6907230 0.78 KDM4E (0.37) MAPTCYP1A2CYP2C19RAB9AALDH1A1
SCHEMBL6908568 0.77 L3MBTL1 (0.42) MAPTGAARAB9ATDP1SMN1; SMN2
SCHEMBL6905963 0.76 POLB (0.47) MAPTGAACYP1A2CYP2C19CYP3A4
SCHEMBL6903538 0.76 MAPT (0.41) MAPTCYP1A2CYP2C19RAB9AALDH1A1
SCHEMBL6909742 0.75 LTA4H (0.40) MAPTRAB9ATDP1SMN1; SMN2ALDH1A1
SCHEMBL6909195 0.73 ALDH1A1 (0.45) PKMGAARAB9AMAPK1SMN1; SMN2
SCHEMBL6903481 0.73 ALDH1A1 (0.42) PKMMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6908589 0.71 LTA4H (0.39) GAARAB9AALDH1A1LMNAPOLB
SCHEMBL6909252 0.70 MAOB (0.40) MAPTRAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6902736 0.69 LTA4H (0.34) MAPTRAB9AALDH1A1LMNAMEN1

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 PKM 4418/4885MAPT 4356/4885GAA 2441/4885

“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.