SCHEMBL20677844

SCHEMBL20677844

Cc1cccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 16/20 1.00
▸ PDK1 Q15118 4/20 0.64
▸ HSP90AB1 P08238 1/20 0.53

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
SCHEMBL20677835 0.87 HSP90AA1 (1.00) HSP90AA1PDK1
SCHEMBL20677851 0.85 HSP90AA1 (1.00) HSP90AA1PDK1
SCHEMBL19182758 0.81 HSP90AA1 (0.68) HSP90AA1PDK1HSP90AB1
SCHEMBL20677841 0.78 HSP90AA1 (1.00) HSP90AA1PDK1HSP90AB1
SCHEMBL20677870 0.78 HSP90AA1 (0.78) HSP90AA1PDK1
SCHEMBL645589 0.78 HSP90AA1 (0.62) HSP90AA1PDK1HSP90AB1
SCHEMBL30474378 0.78 HSP90AA1 (1.00) HSP90AA1PDK1
SCHEMBL19182979 0.78 HSP90AA1 (1.00) HSP90AA1PDK1
SCHEMBL2081512 0.77 HSP90AA1 (0.61) HSP90AA1PDK1HSP90AB1
SCHEMBL30474395 0.77 HSP90AA1 (1.00) HSP90AA1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661661-A Novel compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof and medical use thereof 恩科森株式会社 2021-04-16 — — CN claimed
CN-108884021-A Novel compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof and medical use thereof 启明大学校产学协力团 2018-11-23 — — CN claimed
CN-108884021-B Novel compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof and medical use thereof 恩科森株式会社 2021-06-01 — — CN disclosed
CN-112661661-A Novel compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof and medical use thereof 恩科森株式会社 2021-04-16 — — CN disclosed
US-10889552-B2 Dihydroxybenzamide compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof ONCOZEN CO.. LTD. (KR) 2021-01-12 — — US disclosed
US-10464907-B2 Compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY (KR) 2019-11-05 — — US disclosed
US-20190031620-A1 NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY (KR) 2019-01-31 — — 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 (3 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-10889552-B2 Dihydroxybenzamide compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885PDK1 1644/4885HSP90AB1 1/4885
US-20190031620-A1 NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF HSP90AA1, HSP90AB1, HSP90AB2P HSP90AA1 1/4885PDK1 1807/4885HSP90AB1 2/4885
US-10464907-B2 Compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof HSP90AA1, HSP90AB1, HSP90AB2P HSP90AA1 1/4885PDK1 1764/4885HSP90AB1 2/4885

“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.

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