SCHEMBL6908588

SCHEMBL6908588

COC(=O)CCCSC(=S)NCc1ccc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
PTPRC P08575 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL6907319 0.80 IDO1 (0.51) LMNAALDH1A1MEN1KMT2APKM
SCHEMBL6902733 0.78 PKM (0.36) LMNAALDH1A1MEN1KMT2APKM
SCHEMBL6908564 0.77 POLB (0.51) LMNAALDH1A1MEN1RAB9AKMT2A
SCHEMBL6903478 0.76 ALDH1A1 (0.44) LMNAALDH1A1MEN1RAB9AKMT2A
SCHEMBL11496733 0.75 MAPT (0.54) LMNAALDH1A1MEN1RAB9AKMT2A
SCHEMBL6909193 0.75 KMT2A (0.50) ALDH1A1MEN1RAB9AKMT2AL3MBTL1
SCHEMBL7152781 0.75 ALDH1A1 (0.48) LMNAALDH1A1MEN1RAB9AKMT2A
SCHEMBL28372818 0.74 TSHR (0.45) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6909741 0.74 LMNA (0.43) LMNAMEN1RAB9AKMT2AL3MBTL1
SCHEMBL6908589 0.73 LTA4H (0.39) LMNAALDH1A1MEN1RAB9AKMT2A

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 LMNA 4444/4885ALDH1A1 327/4885MEN1 1075/4885

“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.