SCHEMBL22757455

SCHEMBL22757455

CC(C)(SS)C(=O)C1=CCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CTSK P43235 1/20 0.35

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
SCHEMBL21891951 0.84 HDAC4 (0.44) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL19115944 0.79 HDAC2 (0.47) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL9004436 0.79 HDAC2 (0.50) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL9004443 0.73 HDAC2 (0.52) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL18857348 0.73 HDAC4 (0.44) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL14606179 0.69 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL2559392 0.68
SCHEMBL720598 0.68
SCHEMBL2774579 0.67 HDAC2 (0.60) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL6965531 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-20200385364-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2020-12-10 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-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HDAC4 2091/4885HDAC2 2773/4885HDAC8 947/4885
US-20200385364-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HDAC4 2237/4885HDAC2 2739/4885HDAC8 997/4885

“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.