SCHEMBL6902736

SCHEMBL6902736

COC(=O)CCCSC(=S)N(C)c1cc[nH]c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
TSHR P16473 2/20 0.33
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
P2RY12 Q9H244 3/20 0.32
PDE2A O00408 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MLYCD O95822 1/20 0.30

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
SCHEMBL6909742 0.79 LTA4H (0.40) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6909464 0.78 L3MBTL1 (0.34) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6908589 0.78 LTA4H (0.39) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6903481 0.74 ALDH1A1 (0.42) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6908568 0.74 L3MBTL1 (0.42) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6902733 0.73 PKM (0.36) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL6909195 0.72 ALDH1A1 (0.45) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6909270 0.70 LTA4H (0.37) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6905964 0.69 PKM (0.37) LTA4HALDH1A1KMT2AMEN1RAB9A
SCHEMBL6909252 0.69 MAOB (0.40) TSHRALDH1A1KMT2AMEN1RAB9A

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 1855/4885TSHR 3397/4885PDE3B 2597/4885

“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.