SCHEMBL647531

SCHEMBL647531

COc1cccc(CN(C)S(=O)(=O)c2cc(-c3nnc(O)n3-c3ccccc3F)c(O)cc2O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.49
HSP90AB1 P08238 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL644635 0.93 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2KMT2AALDH1A1
SCHEMBL645341 0.92 HSP90AA1 (0.44) HSP90AA1HSP90AB1SMN1; SMN2KDM4EHTT
SCHEMBL644577 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1SMN1; SMN2KDM4EHTT
SCHEMBL646628 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1SMN1; SMN2KDM4EMEN1
SCHEMBL646679 0.89 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL647555 0.87 HSP90AA1 (0.49) HSP90AA1HSP90AB1RAB9ASMN1; SMN2HTT
SCHEMBL645378 0.86 HSP90AA1 (0.48) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL645400 0.86 HSP90AA1 (0.48) HSP90AA1HSP90AB1RAB9AGAA
SCHEMBL644848 0.85 HSP90AA1 (0.52) HSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL645831 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1KMT2AGAA

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
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP claimed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US claimed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US claimed
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885RAB9A 2229/4885

“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.