SCHEMBL2426780

SCHEMBL2426780

COc1ccc(CCNC(=O)c2ccc(N3[C@@H]4CC[C@H]3C[C@@H](NC(=O)c3cccc(OC)c3C)C4)nc2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.75
HSP90AB1 P08238 16/20 0.75
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2426782 1.00 HSP90AA1 (0.75) HSP90AA1HSP90AB1MAPK1TP53LMNA
SCHEMBL2424760 0.93 HSP90AA1 (0.84) HSP90AA1HSP90AB1
SCHEMBL2424757 0.93 HSP90AA1 (0.84) HSP90AA1HSP90AB1
SCHEMBL3977441 0.92 HSP90AA1 (0.77) HSP90AA1HSP90AB1
SCHEMBL3980048 0.92 HSP90AA1 (0.87) HSP90AA1HSP90AB1TP53LMNAMAPT
SCHEMBL3979059 0.91 HSP90AA1 (0.75) HSP90AA1HSP90AB1LMNAMAPT
SCHEMBL2428577 0.90 HSP90AA1 (0.76) HSP90AA1HSP90AB1LMNAMAPT
SCHEMBL2428574 0.90 HSP90AA1 (0.76) HSP90AA1HSP90AB1LMNAMAPT
SCHEMBL2429263 0.89 HSP90AA1 (0.77) HSP90AA1HSP90AB1MAPK1LMNAMAPT
SCHEMBL2429266 0.89 HSP90AA1 (0.77) HSP90AA1HSP90AB1MAPK1LMNAMAPT

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-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP claimed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 HSP90AA1 1888/4885HSP90AB1 1352/4885MAPK1 2739/4885

“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.