SCHEMBL6909742

SCHEMBL6909742

COC(=O)CCCSC(=S)N(C)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.40
TSHR P16473 2/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6909464 0.79 L3MBTL1 (0.34) LTA4HTSHRALDH1A1L3MBTL1KMT2A
SCHEMBL6902736 0.79 LTA4H (0.34) LTA4HTSHRALDH1A1L3MBTL1KMT2A
SCHEMBL6908568 0.78 L3MBTL1 (0.42) LTA4HTSHRALDH1A1L3MBTL1KMT2A
SCHEMBL6903481 0.75 ALDH1A1 (0.42) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6905964 0.75 PKM (0.37) LTA4HALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6908589 0.74 LTA4H (0.39) LTA4HTSHRALDH1A1L3MBTL1KMT2A
SCHEMBL6909195 0.73 ALDH1A1 (0.45) LTA4HTSHRALDH1A1L3MBTL1KMT2A
SCHEMBL6909741 0.72 LMNA (0.43) LTA4HL3MBTL1KMT2AMEN1RAB9A
SCHEMBL6903538 0.72 MAPT (0.41) LTA4HTSHRALDH1A1KMT2AMEN1
SCHEMBL6909270 0.71 LTA4H (0.37) LTA4HTSHRALDH1A1KMT2AMEN1

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 2 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
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

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 3397/4885ALDH1A1 327/4885

“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.