SCHEMBL7063552

SCHEMBL7063552

C=CCOC(=O)CCCSC(=S)NCC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 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
SCHEMBL6902835 0.84 SMN1; SMN2 (0.50) LMNAPOLBUSP2SMN1; SMN2HPGD
SCHEMBL6909883 0.84 SMN1; SMN2 (0.50) LMNAPOLBUSP2SMN1; SMN2HPGD
SCHEMBL6909766 0.84 SMN1; SMN2 (0.50) LMNAPOLBUSP2SMN1; SMN2HPGD
SCHEMBL6908199 0.81 SMN1; SMN2 (0.46) LMNAPOLBUSP2SMN1; SMN2HPGD
SCHEMBL6904723 0.81 SMN1; SMN2 (0.54) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL6906075 0.81 SMN1; SMN2 (0.54) LMNAUSP2SMN1; SMN2HPGDTP53
SCHEMBL6907247 0.80 HPGD (0.53) LMNAPOLBUSP2SMN1; SMN2HPGD
SCHEMBL6906554 0.79 SMN1; SMN2 (0.52) LMNAUSP2SMN1; SMN2HPGDTP53
SCHEMBL6910302 0.77 SMN1; SMN2 (0.49) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL6910243 0.77 SMN1; SMN2 (0.49) LMNAPOLBUSP2SMN1; SMN2HPGD

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-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

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 LMNA 4444/4885POLB 2776/4885USP2 3442/4885

“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.