SCHEMBL6903478

SCHEMBL6903478

COC(=O)CCCSC(=S)NCc1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 7/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.34
ADORA2A P29274 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
SCHEMBL6909193 0.85 KMT2A (0.50) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6909266 0.80 BTK (0.41) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6907319 0.80 IDO1 (0.51) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL6908564 0.77 POLB (0.51) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6908588 0.76 LMNA (0.37) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11496733 0.75 MAPT (0.54) ALDH1A1RAB9AMEN1KMT2ALMNA
SCHEMBL7152781 0.75 ALDH1A1 (0.48) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6903481 0.75 ALDH1A1 (0.42) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6909741 0.74 LMNA (0.43) RAB9AMEN1KMT2ALMNA
SCHEMBL6902733 0.73 PKM (0.36) ALDH1A1MEN1KMT2APKMLMNA

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 ALDH1A1 327/4885RAB9A 4408/4885MEN1 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.