SCHEMBL4933407

SCHEMBL4933407

CCN(C)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.55
APLNR P35414 1/20 0.34
ESR1 P03372 3/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HSD11B1 P28845 1/20 0.32
VCAM1 P19320 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL645464 0.92 HSP90AA1 (0.58) HSP90AA1APLNRESR1MAPTTSHR
SCHEMBL4940684 0.91 HSP90AA1 (0.53) HSP90AA1APLNRMAPTTSHRALDH1A1
SCHEMBL4941779 0.90 HSP90AA1 (0.52) HSP90AA1APLNRESR1MAPTTSHR
SCHEMBL4937144 0.90 HSP90AA1 (0.53) HSP90AA1APLNRESR1MAPTNOTUM
SCHEMBL4939580 0.89 HSP90AA1 (0.58) HSP90AA1MAPTNOTUMALDH1A1GAA
SCHEMBL646966 0.89 HSP90AA1 (0.52) HSP90AA1MAPTALDH1A1LMNA
SCHEMBL646642 0.89 HSP90AA1 (0.52) HSP90AA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4939553 0.88 HSP90AA1 (0.70) HSP90AA1APLNRMAPTNOTUMALDH1A1
SCHEMBL646667 0.88 HSP90AA1 (0.51) HSP90AA1MAPTTSHRALDH1A1LMNA
SCHEMBL646372 0.87 HSP90AA1 (0.50) HSP90AA1ALDH1A1LMNAHTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 US claimed
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 EP claimed
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US claimed
CN-101119978-A HSP90-inhibiting triazole derivatives MERCK PATENT GMBH (DE) 2008-02-06 CN claimed
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 EP disclosed
CN-101119978-B HSP 90-inhibiting triazole derivatives MERCK PATENT GMBH 2012-05-23 CN disclosed
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US disclosed
CN-101119978-A HSP90-inhibiting triazole derivatives MERCK PATENT GMBH (DE) 2008-02-06 CN 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-20080182857-A1 Triazole Derivatives HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885APLNR 4865/4885ESR1 2460/4885

“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.