SCHEMBL646952

SCHEMBL646952

Cc1ccc(CN(C)S(=O)(=O)c2cc(-c3nnc(O)n3-c3ccccc3C)c(O)cc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.44
HSP90AB1 P08238 8/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 3/20 0.34
THRB P10828 1/20 0.34
ACLY P53396 1/20 0.33

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
SCHEMBL645783 0.94 HSP90AA1 (0.46) HSP90AA1HSP90AB1POLBHPGDMAPT
SCHEMBL647278 0.93 HSP90AA1 (0.47) HSP90AA1HSP90AB1POLBRXFP1THRB
SCHEMBL646963 0.91 HSP90AA1 (0.43) HSP90AA1HSP90AB1POLBHPGDRXFP1
SCHEMBL645560 0.91 HSP90AA1 (0.54) HSP90AA1HSP90AB1POLBHPGDMAPT
SCHEMBL646667 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1POLBHPGDMAPT
SCHEMBL646605 0.91 HSP90AA1 (0.49) HSP90AA1HSP90AB1POLBMAPTRXFP1
SCHEMBL644540 0.87 HSP90AA1 (0.43) HSP90AA1HSP90AB1POLB
SCHEMBL645469 0.87 HSP90AA1 (0.42) HSP90AA1HSP90AB1POLBMAPTRXFP1
SCHEMBL646733 0.87 HSP90AA1 (0.45) HSP90AA1HSP90AB1POLB
SCHEMBL644571 0.87 HSP90AA1 (0.42) HSP90AA1HSP90AB1POLBHPGD

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 1/4885POLB 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.