SCHEMBL645560

SCHEMBL645560

Cc1ccc(CN(C)S(=O)(=O)c2cc(-c3nnc(O)n3-c3ccccc3F)c(O)cc2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.54
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL645737 0.94 HSP90AA1 (0.54) HSP90AA1POLBRXFP1MEN1KMT2A
SCHEMBL645947 0.94 HSP90AA1 (0.55) HSP90AA1POLBHPGDMAPTHSP90AB1
SCHEMBL647638 0.92 HSP90AA1 (0.53) HSP90AA1POLBHPGDHSP90AB1MEN1
SCHEMBL646952 0.91 HSP90AA1 (0.44) HSP90AA1POLBHPGDRXFP1MAPT
SCHEMBL646621 0.91 HSP90AA1 (0.52) HSP90AA1POLBHPGDRXFP1MAPT
SCHEMBL646667 0.90 HSP90AA1 (0.51) HSP90AA1POLBHPGDRXFP1MAPT
SCHEMBL647188 0.89 HSP90AA1 (0.52) HSP90AA1POLBMEN1KMT2A
SCHEMBL646679 0.89 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL647278 0.88 HSP90AA1 (0.47) HSP90AA1POLBRXFP1HSP90AB1MEN1
SCHEMBL645746 0.87 HSP90AA1 (0.51) HSP90AA1HPGDHSP90AB1

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 2/4885POLB 3458/4885HPGD 1305/4885

“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.