SCHEMBL23329028

SCHEMBL23329028

CC(C)PN(PC(C)C)S(=O)(=O)c1ncn(CCOCc2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 4/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 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
SCHEMBL23294088 0.78 NPC1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20757131 0.76 TAS2R14 (0.47) PKMALDH1A1LMNAHTTMEN1
SCHEMBL23329284 0.66 MEN1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20757367 0.65 SMN1; SMN2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22497167 0.64 CA1 (0.38) PKMMEN1KMT2A
SCHEMBL30674045 0.64 CYP1A2 (0.41) NPC1RAB9ASMN1; SMN2TP53MAOA
SCHEMBL22497169 0.64 CA1 (0.38) PKMMEN1KMT2A
SCHEMBL21962239 0.63 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962212 0.63 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962200 0.62 KCNA5 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20210130359-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-05-06 — — 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 (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-20210130359-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 HDAC3 204/4885HDAC4 1920/4885HDAC1 560/4885

“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.

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