SCHEMBL645947

SCHEMBL645947

CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.55
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSP90AB1 P08238 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL645560 0.94 HSP90AA1 (0.54) HSP90AA1POLBMEN1KMT2AHPGD
SCHEMBL645737 0.94 HSP90AA1 (0.54) HSP90AA1POLBMEN1KMT2ATP53
SCHEMBL647638 0.93 HSP90AA1 (0.53) HSP90AA1POLBMEN1KMT2AALDH1A1
SCHEMBL646621 0.93 HSP90AA1 (0.52) HSP90AA1POLBMEN1KMT2AALDH1A1
SCHEMBL647188 0.93 HSP90AA1 (0.52) HSP90AA1POLBMEN1KMT2AALDH1A1
SCHEMBL645783 0.91 HSP90AA1 (0.46) HSP90AA1POLBMEN1KMT2AALDH1A1
SCHEMBL645541 0.91 HSP90AA1 (0.51) HSP90AA1LMNATP53MAPT
SCHEMBL645746 0.91 HSP90AA1 (0.51) HSP90AA1ALDH1A1HPGDHSP90AB1
SCHEMBL646679 0.90 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL646966 0.89 HSP90AA1 (0.52) HSP90AA1POLBMEN1KMT2AALDH1A1

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 3458/4885MEN1 4672/4885

“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.