SCHEMBL4086491

SCHEMBL4086491

NC(=O)OCCSSCCOC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
TSHR P16473 2/20 0.46
HTR1A P08908 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRNA7 P36544 1/20 0.46
ALOX15 P16050 1/20 0.43
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 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
SCHEMBL28387047 0.91 TSHR (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL24834300 0.91 CHRM2 (0.40) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28243445 0.89 CHRM2 (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL10675132 0.84 CHRM2 (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL12684834 0.83 CHRNB2 (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28708551 0.83 LMNA (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL15591261 0.83 TSHR (0.50) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL13018462 0.82 CHRM2 (0.34) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL23039200 0.80 LMNA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL113863 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP disclosed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 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-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 LMNA 3916/4885CHRM2 4883/4885CHRM4 4885/4885

“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.