SCHEMBL6460901

SCHEMBL6460901

NC(=O)c1ccc(CN2CCS(O)(O)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.44
HDAC1 Q13547 11/20 0.43
HDAC6 Q9UBN7 11/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
CYP2C19 P33261 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
BRD4 O60885 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6460905 0.88 MEN1 (0.45) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL4055424 0.88 HDAC1 (0.46) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL3964825 0.84 HDAC1 (0.56) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL4443398 0.80 BRD4 (0.38) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL4059741 0.80 BRD4 (0.37) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL3971807 0.76 HDAC6 (0.45) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL3966214 0.76 HDAC6 (0.40) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL3970324 0.74 MEN1 (0.32) MEN1KMT2A
SCHEMBL6789654 0.73 ADAM17 (0.49) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL6790351 0.73 MMP3 (0.49) HDAC1HDAC6HDAC8HDAC3HDAC2

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-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 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-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 MEN1 1271/4885KMT2A 3634/4885GAA 247/4885

“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.