SCHEMBL21644548

SCHEMBL21644548

CC(C)c1cc(C(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)c(O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.65
HSP90AB1 P08238 10/20 0.65
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 1/20 0.48
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL21644710 0.89 HSP90AA1 (0.61) HSP90AA1HSP90AB1HDAC3HDAC1HDAC6
SCHEMBL30779632 0.89 HSP90AA1 (0.61) HSP90AA1HSP90AB1HDAC3HDAC1HDAC6
SCHEMBL21644708 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1PDK2PDK4
SCHEMBL21644660 0.87 HSP90AA1 (0.61) HSP90AA1HSP90AB1HDAC3HDAC1HDAC6
SCHEMBL21644674 0.86 HSP90AA1 (0.59) HSP90AA1HSP90AB1HDAC3HDAC1HDAC6
SCHEMBL21644517 0.85 HSP90AA1 (0.59) HSP90AA1HSP90AB1PDK2PDK4
SCHEMBL487458 0.82 HSP90AA1 (0.56) HSP90AA1HSP90AB1HDAC3HDAC1HDAC6
SCHEMBL21644568 0.82 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL20509059 0.81 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL487667 0.80 HSP90AA1 (1.00) HSP90AA1HSP90AB1

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
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 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 (2 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HDAC3 1288/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HDAC3 1288/4885

“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.