SCHEMBL449157

SCHEMBL449157

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccc(N2CCOCC2)cc1)C(=S)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
MAPT P10636 9/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 2/20 0.44
EPHX1 P07099 2/20 0.44
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.40
ESR1 P03372 1/20 0.40
GLA P06280 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
SCHEMBL445821 0.96 MAPT (0.48) HSP90AA1HSP90AB1MAPTALDH1A1RAB9A
SCHEMBL451054 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL464655 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL451630 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL446362 0.80 HSP90AA1 (0.63) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL445761 0.80 HSP90AA1 (0.59) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL449259 0.80 HSP90AA1 (0.54) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL446744 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL448203 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL446040 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1

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 5 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
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 1711/4885MAPT 1547/4885

“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.