SCHEMBL6907281

SCHEMBL6907281

S=C(NCC1CCCO1)SCC1CCCS1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 5/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6908188 0.83 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1USP2HPGD
SCHEMBL6908878 0.78 KMT2A (0.44) KMT2ASMN1; SMN2ALDH1A1USP2HPGD
SCHEMBL6904010 0.75 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1USP2HPGD
SCHEMBL7062482 0.72 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1USP2HPGD
SCHEMBL6905952 0.72 KMT2A (0.55) KMT2ASMN1; SMN2ALDH1A1USP2HPGD
SCHEMBL6909215 0.69 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2ALDH1A1USP2HPGD
SCHEMBL6907302 0.69 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1USP2HPGD
SCHEMBL6908030 0.68 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HPGDALOX12RAB9A
SCHEMBL6904723 0.68 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2ALDH1A1USP2HPGD
SCHEMBL6910792 0.68 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1USP2HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 KMT2A 1963/4885SMN1; SMN2 1130/4885ALDH1A1 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.