SCHEMBL646679

SCHEMBL646679

CN(Cc1ccccc1F)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.55
MAOA P21397 2/20 0.40
CASP3 P42574 2/20 0.40
MAOB P27338 1/20 0.40
RORC P51449 1/20 0.35
RECQL P46063 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL645798 0.95 HSP90AA1 (0.51) HSP90AA1MAOACASP3MAOBRORC
SCHEMBL645274 0.94 HSP90AA1 (0.49) HSP90AA1MAOACASP3MAOBRORC
SCHEMBL644848 0.93 HSP90AA1 (0.52) HSP90AA1MAOACASP3MAOBRORC
SCHEMBL644635 0.92 HSP90AA1 (0.51) HSP90AA1MAOACASP3MAOBHSP90AB1
SCHEMBL645947 0.90 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL646628 0.89 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL647531 0.89 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL645560 0.89 HSP90AA1 (0.54) HSP90AA1HSP90AB1
SCHEMBL645737 0.89 HSP90AA1 (0.54) HSP90AA1MAOACASP3MAOB
SCHEMBL645378 0.88 HSP90AA1 (0.48) HSP90AA1MAOACASP3MAOBHSP90AB1

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 2/4885MAOA 3267/4885CASP3 1131/4885

“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.