SCHEMBL646290

SCHEMBL646290

CN(Cc1ccoc1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.48
TP53 P04637 1/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACLY P53396 1/20 0.32
APP P05067 1/20 0.32
TEX264 Q9Y6I9 1/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30

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
SCHEMBL644571 0.91 HSP90AA1 (0.42) HSP90AA1POLBALDH1A1HTTHPGD
SCHEMBL645523 0.90 HSP90AA1 (0.51) HSP90AA1POLBLMNAALDH1A1SMN1; SMN2
SCHEMBL646966 0.89 HSP90AA1 (0.52) HSP90AA1TP53POLBLMNAALDH1A1
SCHEMBL646667 0.88 HSP90AA1 (0.51) HSP90AA1TP53POLBLMNAALDH1A1
SCHEMBL646372 0.87 HSP90AA1 (0.50) HSP90AA1TP53POLBLMNAALDH1A1
SCHEMBL647209 0.86 HSP90AA1 (0.49) HSP90AA1TP53POLBACLY
SCHEMBL646245 0.86 HSP90AA1 (0.49) HSP90AA1TP53POLBLMNAALDH1A1
SCHEMBL644619 0.86 HSP90AA1 (0.49) HSP90AA1TP53POLBLMNAALDH1A1
SCHEMBL646642 0.86 HSP90AA1 (0.52) HSP90AA1TP53POLBLMNAALDH1A1
SCHEMBL644655 0.85 HSP90AA1 (0.51) HSP90AA1TP53POLBALDH1A1APP

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 2/4885TP53 719/4885POLB 3458/4885

“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.