SCHEMBL25214036

SCHEMBL25214036

CC(C)(C)OC(=O)/N=[SH](=O)/c1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.43
HDAC2 Q92769 1/20 0.38
CYP17A1 P05093 1/20 0.36
MAP3K5 Q99683 1/20 0.36
P2RY14 Q15391 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
HDAC3 O15379 1/20 0.33
KCNH2 Q12809 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
F10 P00742 1/20 0.33
ABCB1 P08183 1/20 0.32
CHEK2 O96017 1/20 0.32
VCP P55072 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL4282110 0.83 HDAC1 (0.49) HDAC1HDAC2CYP17A1MAP3K5P2RY14
SCHEMBL4282116 0.83 HDAC1 (0.54) HDAC1HDAC2CYP17A1MAP3K5P2RY14
SCHEMBL25244303 0.82 HDAC1 (0.43) HDAC1HDAC2CYP17A1MAP3K5P2RY14
SCHEMBL651518 0.78 HDAC1 (0.52) HDAC1HDAC2CYP17A1MAP3K5P2RY14
SCHEMBL10121375 0.78 HDAC1 (0.49) HDAC1HDAC2CYP17A1MAP3K5P2RY14
SCHEMBL8172813 0.78 HDAC1 (0.46) HDAC1HDAC2CYP17A1KCNH2PPARG
SCHEMBL650277 0.77 HDAC1 (0.48) HDAC1HDAC2CYP17A1MAP3K5P2RY14
SCHEMBL3769556 0.76 HDAC1 (0.48) HDAC1HDAC2CYP17A1P2RY14HDAC3
SCHEMBL2686960 0.73 HDAC1 (0.41) HDAC1HDAC2CYP17A1MAP3K5P2RY14
SCHEMBL2685761 0.72 HDAC1 (0.40) HDAC1HDAC2CYP17A1MAP3K5P2RY14

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-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 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-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC2 9/4885CYP17A1 1294/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC2 8/4885CYP17A1 657/4885

“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.