SCHEMBL21644586

SCHEMBL21644586

CC(C)c1cc(C(=O)N(C)c2cccc(F)c2)c(O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.52
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2B6 P20813 1/20 0.49
HSP90AB1 P08238 2/20 0.47
MET P08581 1/20 0.47
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 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
SCHEMBL21644591 0.86 CYP3A4 (0.48) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL487997 0.85 HSP90AA1 (0.58) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL21644657 0.85 HSP90AA1 (0.65) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL21644654 0.84 CYP3A4 (0.67) HSP90AA1HDAC3HDAC1HDAC6HDAC7
SCHEMBL30779628 0.84 CYP3A4 (0.67) HSP90AA1HDAC3HDAC1HDAC6HDAC7
SCHEMBL21644644 0.82 CYP3A4 (0.55) HSP90AA1CYP3A4CYP2C9CYP2C19CYP2B6
SCHEMBL21644595 0.79 HSP90AA1 (0.76) HSP90AA1HDAC3HDAC1HDAC6HDAC7
SCHEMBL30779662 0.79 HSP90AA1 (0.76) HSP90AA1HDAC3HDAC1HDAC6HDAC7
SCHEMBL21644514 0.78 HSP90AA1 (0.56) HSP90AA1HDAC3HDAC1HDAC6HDAC2
SCHEMBL30779551 0.78 HSP90AA1 (0.56) HSP90AA1HDAC3HDAC1HDAC6HDAC2

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 3/4885HDAC3 1288/4885HDAC1 319/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HDAC3 1288/4885HDAC1 319/4885

“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.