SCHEMBL6908199

SCHEMBL6908199

COC(=O)CCCSC(=S)NCC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 7/20 0.45
TP53 P04637 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6902835 0.96 SMN1; SMN2 (0.50) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6909883 0.96 SMN1; SMN2 (0.50) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6909766 0.96 SMN1; SMN2 (0.50) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6907247 0.92 HPGD (0.53) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6910302 0.89 SMN1; SMN2 (0.49) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6906554 0.84 SMN1; SMN2 (0.52) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6904723 0.83 SMN1; SMN2 (0.54) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6906075 0.83 SMN1; SMN2 (0.54) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6908868 0.81 EPHX2 (0.44) SMN1; SMN2HPGDKMT2AMEN1ALDH1A1
SCHEMBL6909215 0.81 SMN1; SMN2 (0.48) SMN1; SMN2USP2HPGDTP53ALOX12

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 SMN1; SMN2 1130/4885USP2 3442/4885HPGD 440/4885

“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.