SCHEMBL6908564

SCHEMBL6908564

COC(=O)CCCSC(=S)NCc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 7/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45

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) POLBLMNAHPGDALDH1A1GAA
SCHEMBL6909193 0.78 KMT2A (0.50) SMN1; SMN2HPGDALDH1A1GAAKDM4E
SCHEMBL6909741 0.78 LMNA (0.43) LMNAHPGDHTTMEN1KMT2A
SCHEMBL6903478 0.77 ALDH1A1 (0.44) MAPTTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL6905963 0.77 POLB (0.47) POLBMAPTSMN1; SMN2GAA
SCHEMBL6908588 0.77 LMNA (0.37) TSHRSMN1; SMN2LMNAALDH1A1PKM
SCHEMBL6909461 0.77 ALDH1A1 (0.41) POLBMAPTTSHRUSP2LMNA
SCHEMBL11496733 0.76 MAPT (0.54) MAPTLMNAHPGDALDH1A1GAA
SCHEMBL7152781 0.76 ALDH1A1 (0.48) POLBMAPTSMN1; SMN2LMNAHTT
SCHEMBL6907228 0.75 CA2 (0.41) POLBLMNAKDM4E

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 POLB 2776/4885MAPT 4356/4885TSHR 3397/4885

“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.