SCHEMBL21644656

SCHEMBL21644656

CC(C)c1cc(C(=O)NCc2ccc(F)cc2)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
CNR2 P34972 1/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
HSP90AA1 P07900 7/20 0.48
HSP90AB1 P08238 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTT P42858 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP3A7 P24462 1/20 0.47

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
SCHEMBL21644655 0.86 HSP90AA1 (0.64) SMN1; SMN2CYP2C19KMT2ALMNAHPGD
SCHEMBL30779607 0.86 HSP90AA1 (0.48) POLBCNR2LMNAHSP90AA1HSP90AB1
SCHEMBL21644589 0.86 HSP90AA1 (0.48) POLBCNR2LMNAHSP90AA1HSP90AB1
SCHEMBL25100417 0.85 HDAC6 (0.66) CYP1A2CYP2C19HSP90AA1HDAC3HDAC1
SCHEMBL29200006 0.82 HSP90AA1 (0.70) SMN1; SMN2CYP1A2CYP2C19KMT2AHSP90AA1
SCHEMBL21644546 0.80 P2RX1 (0.56) SMN1; SMN2POLBKMT2ALMNAHSP90AA1
SCHEMBL21644658 0.80 HPGD (0.52) KMT2ALMNAHPGDHSP90AA1HSP90AB1
SCHEMBL5078982 0.75 L3MBTL1 (0.57) SMN1; SMN2POLBCYP1A2CYP2C19KMT2A
SCHEMBL21644646 0.75 HSP90AA1 (0.77) CYP1A2CYP2C19HSP90AA1HDAC3HDAC1
SCHEMBL5079089 0.75 CNR2 (0.67) SMN1; SMN2POLBCYP1A2CYP2C19KMT2A

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 SMN1; SMN2 4067/4885POLB 2443/4885CYP1A2 3098/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 SMN1; SMN2 4067/4885POLB 2443/4885CYP1A2 3098/4885

“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.