SCHEMBL3988640

SCHEMBL3988640

COc1ccc(S(=O)(=O)n2c(S)nnc2-c2ccc(O)c(C(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP9 P14780 2/20 0.35
MMP1 P03956 1/20 0.35

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
SCHEMBL3994111 0.89 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAAHSD17B10
SCHEMBL6747531 0.86 GAA (0.47) ALDH1A1KMT2AMEN1GAAHSD17B10
SCHEMBL3993417 0.82 RAB9A (0.38) ALDH1A1KMT2AMEN1KDM4ECA12
SCHEMBL4001975 0.80 CHRM4 (0.38) ALDH1A1TSHR
SCHEMBL3995575 0.80 CHRM4 (0.39) ALDH1A1KMT2AMEN1HSP90AA1LMNA
SCHEMBL3992103 0.80 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL3994758 0.78 HSP90AA1 (0.42) ALDH1A1KMT2AMEN1GAAHSD17B10
SCHEMBL5103376 0.77 HSP90AA1 (0.45) ALDH1A1KMT2AMEN1GAAALOX15
SCHEMBL3922265 0.77 HSP90AA1 (0.43) ALDH1A1KMT2AMEN1GAAHSD17B10
SCHEMBL6747524 0.75 GAA (0.49) ALDH1A1KMT2AMEN1GAAHSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US claimed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US claimed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US claimed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US claimed
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
EP-2038262-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-03-25 EP disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139968-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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 (3 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-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885KMT2A 3432/4885MEN1 4367/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885KMT2A 3432/4885MEN1 4367/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885KMT2A 3432/4885MEN1 4367/4885

“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.