SCHEMBL446586

SCHEMBL446586

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccc2c(c1)OCO2)C(=S)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
ALPL P05186 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL446040 0.95 HSP90AA1 (0.51) GAALMNAHPGDNPC1RAB9A
SCHEMBL448203 0.95 HSP90AA1 (0.51) GAALMNAHPGDNPC1RAB9A
SCHEMBL448599 0.81 HSP90AA1 (0.46) KMT2AMEN1GAALMNAHPGD
SCHEMBL464655 0.78 HSP90AA1 (0.68) KMT2AMEN1GAALMNAHPGD
SCHEMBL445821 0.76 MAPT (0.48) KMT2AMEN1GAALMNAHPGD
SCHEMBL449010 0.76 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL448654 0.74 HSP90AA1 (0.46) KMT2AMEN1GAALMNAHPGD
SCHEMBL448878 0.74 HSP90AA1 (0.45) KMT2AHPGDNPC1RAB9AHDAC1
SCHEMBL449157 0.73 HSP90AA1 (0.51) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL445761 0.72 HSP90AA1 (0.59) KMT2AGAALMNAHPGDNPC1

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 KMT2A 1925/4885MEN1 89/4885GAA 395/4885

“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.