SCHEMBL21644589

SCHEMBL21644589

CC(C)c1cc(C(=O)NCc2cccc(F)c2)c(O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.48
ANPEP P15144 1/20 0.46
TP53 P04637 1/20 0.46
PDE10A Q9Y233 1/20 0.44
MAOB P27338 1/20 0.44
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
SRC P12931 1/20 0.43
HSP90AB1 P08238 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL30779607 1.00 HSP90AA1 (0.48) HSP90AA1ANPEPTP53PDE10AMAOB
SCHEMBL21644656 0.86 SMN1; SMN2 (0.53) HSP90AA1LMNAHSP90AB1CNR2HDAC3
SCHEMBL21644655 0.86 HSP90AA1 (0.64) HSP90AA1TP53LMNAHSP90AB1
SCHEMBL21644658 0.79 HPGD (0.52) HSP90AA1MAOBMAPTLMNAHSP90AB1
SCHEMBL21644609 0.79 SMN1; SMN2 (0.54) MAOBHDAC3HDAC1HDAC7HDAC6
SCHEMBL30779662 0.77 HSP90AA1 (0.76) HSP90AA1LMNAHDAC3HDAC1HDAC7
SCHEMBL21644595 0.77 HSP90AA1 (0.76) HSP90AA1LMNAHDAC3HDAC1HDAC7
SCHEMBL22972356 0.77 MT-CO2 (0.50) TP53PDE10AMAOBEPHX2MAPT
SCHEMBL21644520 0.77 LMNA (0.55) TP53PDE10AMAOBMAPTLMNA
SCHEMBL30779518 0.77 LMNA (0.55) TP53PDE10AMAOBMAPTLMNA

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 3/4885ANPEP 3644/4885TP53 50/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885ANPEP 3644/4885TP53 50/4885

“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.