SCHEMBL644205

SCHEMBL644205

Cc1ccccc1-n1c(O)nnc1-c1cc(S(=O)(=O)N(C)Cc2ccccc2OCCN)c(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.42
HSP90AB1 P08238 6/20 0.42
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL645400 0.93 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL646860 0.93 HSP90AA1 (0.42) HSP90AA1HSP90AB1SMN1; SMN2KEAP1NFE2L2
SCHEMBL646597 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL646627 0.92 HSP90AA1 (0.42) HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL644353 0.90 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL644657 0.90 HSP90AA1 (0.47) HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL645831 0.90 HSP90AA1 (0.51) HSP90AA1HSP90AB1KEAP1NFE2L2
SCHEMBL644382 0.90 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL647283 0.88 HSP90AA1 (0.39) HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL645378 0.87 HSP90AA1 (0.48) HSP90AA1HSP90AB1

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 1/4885HPGD 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.