SCHEMBL21644568

SCHEMBL21644568

CC(C)c1cc(C(=O)N(C)c2ccccc2C(=O)N2CCOCC2)c(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.67
HSP90AB1 P08238 8/20 0.67
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL21644573 0.87 HSP90AA1 (0.64) HSP90AA1HSP90AB1NPSR1ALDH1A1
SCHEMBL21644530 0.85 HSP90AA1 (0.61) HSP90AA1HSP90AB1NPSR1
SCHEMBL21644647 0.84 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1TP53
SCHEMBL21644548 0.82 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL487667 0.82 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL21644710 0.82 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL30779632 0.82 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL21644542 0.78 HSP90AA1 (0.69) HSP90AA1HSP90AB1ALDH1A1GAASMN1; SMN2
SCHEMBL20509059 0.78 HSP90AA1 (0.61) HSP90AA1HSP90AB1NPSR1SMN1; SMN2TP53
SCHEMBL21644708 0.77 HSP90AA1 (0.64) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2

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 1/4885NPSR1 4015/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885NPSR1 4015/4885

“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.