SCHEMBL21644513

SCHEMBL21644513

CCCN(Cc1ccccc1F)C(=O)c1cc(C(C)C)c(O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.59
MET P08581 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2B6 P20813 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP3A7 P24462 1/20 0.44
CYP3A43 Q9HB55 1/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC7 Q8WUI4 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AB1 P08238 1/20 0.40
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL21644615 0.91 HSP90AA1 (0.57) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL21644551 0.84 HSP90AA1 (0.70) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL21644701 0.84 HSP90AA1 (0.72) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL21644582 0.82 HSP90AA1 (0.73) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL21644529 0.81 HSP90AA1 (0.63) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL30779664 0.81 HSP90AA1 (0.63) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL30779629 0.80 HSP90AA1 (0.51) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL21644682 0.80 HSP90AA1 (0.51) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL21644574 0.74 CYP3A4 (0.58) HSP90AA1METCYP3A4CYP2C9CYP2C19
SCHEMBL30779627 0.74 CYP3A4 (0.58) HSP90AA1METCYP3A4CYP2C9CYP2C19

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 3/4885MET 887/4885CYP3A4 4066/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885MET 887/4885CYP3A4 4066/4885

“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.