SCHEMBL6903538

SCHEMBL6903538

COC(=O)CCCSC(=S)N(C)c1cc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
PTGER4 P35408 1/20 0.35
ACKR3 P25106 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
LTA4H P09960 1/20 0.34
OPRM1 P35372 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL6908568 0.79 L3MBTL1 (0.42) MAPTALDH1A1RAB9ALMNATSHR
SCHEMBL6903534 0.76 CYP2A6 (0.44) MAPTRAB9ARPS6KB2PTGER4LMNA
SCHEMBL6909252 0.76 MAOB (0.40) MAPTTAS1R3TAS1R1ALDH1A1RAB9A
SCHEMBL6905964 0.76 PKM (0.37) MAPTALDH1A1RAB9ACYP1A2CYP2C19
SCHEMBL6909195 0.73 ALDH1A1 (0.45) ALDH1A1RAB9ALMNAALOX15TSHR
SCHEMBL6903481 0.73 ALDH1A1 (0.42) MAPTALDH1A1RAB9ALMNATSHR
SCHEMBL6909742 0.72 LTA4H (0.40) MAPTALDH1A1RAB9ALMNATSHR
SCHEMBL6908589 0.71 LTA4H (0.39) ALDH1A1RAB9ALMNATSHRLTA4H
SCHEMBL6907230 0.70 KDM4E (0.37) MAPTALDH1A1RAB9ACYP1A2CYP2C19
SCHEMBL6902736 0.69 LTA4H (0.34) MAPTALDH1A1RAB9ALMNATSHR

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 4 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

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 MAPT 4356/4885TAS1R3 2899/4885TAS1R1 1619/4885

“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.