SCHEMBL644655

SCHEMBL644655

CN(Cc1ccco1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.51
RXFP1 Q9HBX9 5/20 0.43
TP53 P04637 4/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
APP P05067 1/20 0.39
TEX264 Q9Y6I9 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.37
GFER P55789 1/20 0.37
CPB1 P15086 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL644513 0.91 HSP90AA1 (0.45) HSP90AA1RXFP1TP53POLBMAPT
SCHEMBL644915 0.90 HSP90AA1 (0.51) HSP90AA1RXFP1TP53POLBMAPT
SCHEMBL646642 0.86 HSP90AA1 (0.52) HSP90AA1TP53POLBALDH1A1THRB
SCHEMBL646966 0.86 HSP90AA1 (0.52) HSP90AA1RXFP1TP53POLBMAPT
SCHEMBL645773 0.85 HSP90AA1 (0.48) HSP90AA1TP53POLBKMT2AMEN1
SCHEMBL646290 0.85 HSP90AA1 (0.48) HSP90AA1TP53POLBAPPTEX264
SCHEMBL4933407 0.85 HSP90AA1 (0.55) HSP90AA1MAPTALDH1A1GAATSHR
SCHEMBL646667 0.85 HSP90AA1 (0.51) HSP90AA1RXFP1TP53POLBMAPT
SCHEMBL646372 0.84 HSP90AA1 (0.50) HSP90AA1TP53POLBKMT2AMEN1
SCHEMBL645464 0.83 HSP90AA1 (0.58) HSP90AA1TP53MAPTALDH1A1GAA

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 2/4885RXFP1 3295/4885TP53 719/4885

“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.