SCHEMBL447290

SCHEMBL447290

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1csc2ccccc12)C(=S)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 3/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL464655 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1GAACYP3A4SMN1; SMN2
SCHEMBL446049 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1HDAC1HPGDMAPT
SCHEMBL449018 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1GAACYP1A2CYP3A4
SCHEMBL447714 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1GAACYP1A2CYP3A4
SCHEMBL448996 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1HDAC1HPGDMAPT
SCHEMBL446362 0.80 HSP90AA1 (0.63) HSP90AA1HSP90AB1HDAC1HDAC6HPGD
SCHEMBL445761 0.80 HSP90AA1 (0.59) HSP90AA1HSP90AB1GAASMN1; SMN2HSD17B10
SCHEMBL445596 0.79 HSP90AA1 (0.59) HSP90AA1HSP90AB1GAACYP1A2CYP3A4
SCHEMBL2476428 0.79 HSP90AA1 (0.53) HSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL2476616 0.78 HSP90AA1 (0.52) HSP90AA1HSP90AB1GAACYP1A2CYP3A4

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-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
EP-2370402-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corp. (US) 2011-10-05 EP disclosed
WO-2010065512-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-06-10 WO disclosed
WO-2010065512-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-06-10 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-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA HSP90AA1 2300/4885HSP90AB1 1711/4885GAA 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.