SCHEMBL645804

SCHEMBL645804

COc1ccc(F)cc1CN(C)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 1/20 0.37
KDM4E B2RXH2 2/20 0.36
P2RX7 Q99572 2/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GFER P55789 1/20 0.33
PDE2A O00408 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
SCHEMBL646699 0.94 HSP90AA1 (0.49) HSP90AA1HSP90AB1P2RX7ALDH1A1TSHR
SCHEMBL644660 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1KMT2AALDH1A1MEN1
SCHEMBL646628 0.92 HSP90AA1 (0.51) HSP90AA1HSP90AB1KDM4EKMT2AALDH1A1
SCHEMBL644896 0.92 HSP90AA1 (0.45) HSP90AA1HSP90AB1KDM4EKMT2AALDH1A1
SCHEMBL644577 0.89 HSP90AA1 (0.46) HSP90AA1HSP90AB1KDM4EP2RX7KMT2A
SCHEMBL647555 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1KMT2AALDH1A1MEN1
SCHEMBL644635 0.88 HSP90AA1 (0.51) HSP90AA1HSP90AB1KMT2AALDH1A1SMN1; SMN2
SCHEMBL645274 0.88 HSP90AA1 (0.49) HSP90AA1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL647209 0.88 HSP90AA1 (0.49) HSP90AA1KMT2AMEN1POLB
SCHEMBL646642 0.88 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1POLBSMN1; SMN2

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 1/4885KDM4E 3739/4885

“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.