SCHEMBL5094491

SCHEMBL5094491

COc1cc(S(=O)(=O)n2c(O)nnc2-c2ccc(O)c(C(C)C)c2)ccc1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PDE4B Q07343 11/20 0.38
PDE4D Q08499 10/20 0.38
PDE4A P27815 9/20 0.38
PDE4C Q08493 8/20 0.38
CHRM4 P08173 1/20 0.37

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
SCHEMBL4001975 0.92 CHRM4 (0.38) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL6747604 0.89 HSP90AA1 (0.39) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL6747605 0.80 HSP90AA1 (0.38) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL3998687 0.80 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL3994111 0.79 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL3915950 0.79 POLB (0.38) PDE4BPDE4DPDE4APDE4C
SCHEMBL3921018 0.79 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL3918229 0.75 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL3995740 0.74 CHRM4 (0.40) ALDH1A1CHRM4
SCHEMBL3919259 0.74 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C

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 9 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
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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 (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 2165/4885TSHR 4046/4885PDE4B 1883/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885TSHR 4046/4885PDE4B 1883/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885TSHR 4046/4885PDE4B 1883/4885

“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.