SCHEMBL449222

SCHEMBL449222

CCN(NC(=O)CS(=O)(=O)NN(CC)C(=S)c1ccsc1)C(=S)c1ccsc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HDAC1 Q13547 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
DAO P14920 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KIF11 P52732 1/20 0.31
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL448878 0.81 HSP90AA1 (0.45) HSD11B1CES2CES1HDAC1LCK
SCHEMBL448996 0.76 HSP90AA1 (0.55) HSD11B1HDAC1LCKFYNDAO
SCHEMBL446049 0.76 HSP90AA1 (0.55) HSD11B1HDAC1LCKFYNDAO
SCHEMBL448907 0.68 HSP90AA1 (0.44) L3MBTL1HPGDKMT2A
SCHEMBL448895 0.65
SCHEMBL448407 0.64 HSP90AA1 (0.55) L3MBTL1HDAC1HPGD
SCHEMBL12021090 0.63 HSP90AA1 (0.46) HDAC1CA1HPGDKMT2A
SCHEMBL29636512 0.61 ALDH1A1 (0.50) HSD11B1CES2CES1HDAC1LCK
SCHEMBL15621595 0.61 HSP90AA1 (0.51) HSD11B1L3MBTL1CA1CA2HPGD
SCHEMBL2011772 0.60 LCK (0.55) L3MBTL1CES2CES1HDAC1LCK

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-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 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-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA HSD11B1 322/4885L3MBTL1 4705/4885CES2 4516/4885

“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.