SCHEMBL645523

SCHEMBL645523

CN(Cc1ccoc1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.51
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
APLNR P35414 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL644571 0.92 HSP90AA1 (0.42) HSP90AA1POLBALDH1A1
SCHEMBL646290 0.90 HSP90AA1 (0.48) HSP90AA1POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL645947 0.89 HSP90AA1 (0.55) HSP90AA1POLBALDH1A1LMNA
SCHEMBL645737 0.87 HSP90AA1 (0.54) HSP90AA1POLB
SCHEMBL645560 0.87 HSP90AA1 (0.54) HSP90AA1POLB
SCHEMBL647638 0.86 HSP90AA1 (0.53) HSP90AA1POLBALDH1A1HSD17B10
SCHEMBL647188 0.86 HSP90AA1 (0.52) HSP90AA1POLBALDH1A1
SCHEMBL646621 0.86 HSP90AA1 (0.52) HSP90AA1POLBALDH1A1
SCHEMBL646679 0.85 HSP90AA1 (0.55) HSP90AA1
SCHEMBL644915 0.85 HSP90AA1 (0.51) HSP90AA1POLBALDH1A1LMNA

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 3458/4885ALDH1A1 1671/4885

“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.