SCHEMBL25848867

SCHEMBL25848867

COCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(C)(F)F)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
EPHX2 P34913 11/20 0.41
NR1H4 Q96RI1 10/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL25848983 0.92 HDAC3 (0.50) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL25848863 0.89 HDAC1 (0.47) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL25848865 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL24196677 0.81 LSS (0.49) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL25848859 0.80 HDAC3 (0.44) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL25848934 0.78 PPARA (0.48) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL25848940 0.77 LSS (0.50) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL25848932 0.76 EPHX2 (0.51) HDAC3HDAC6EPHX2NR1H4KMT2A
SCHEMBL24196673 0.76 PPARA (0.42) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL25848823 0.76 EPHX2 (0.61) HDAC3HDAC6EPHX2NR1H4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 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 (1 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-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 HDAC3 1223/4885HDAC1 1680/4885HDAC4 1064/4885

“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.