SCHEMBL24214317

SCHEMBL24214317

CC(C)(C)OC(=O)NCCCS(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ LMNA P02545 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HTT P42858 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ BCHE P06276 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CXCR1 P25024 1/20 0.43
▸ CXCR2 P25025 1/20 0.43
▸ BRD4 O60885 3/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42

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
SCHEMBL24214288 0.81 BCHE (0.43) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL24214330 0.80 BCHE (0.43) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL24214015 0.80 BCHE (0.43) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL24214332 0.79 HDAC4 (0.50) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL9096833 0.78 ALOX15 (0.47) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL9096824 0.78 ALOX15 (0.47) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL1981436 0.76 BCHE (0.58) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL18797503 0.76 ALDH1A1 (0.51) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL17661735 0.76 ALOX15 (0.47) ALDH1A1LMNAMAPTKMT2ABCHE
SCHEMBL22026761 0.76 HDAC3 (0.52) MAPTHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272002-A1 PHOTOREDOX PROTEIN MODIFICATION THE ROSALIND FRANKLIN INSTITUTE (GB) 2023-08-31 — — US disclosed
US-20230272002-A1 PHOTOREDOX PROTEIN MODIFICATION THE ROSALIND FRANKLIN INSTITUTE (GB) 2023-08-31 — — US disclosed
WO-2022013564-A1 PHOTOREDOX PROTEIN MODIFICATION THE ROSALIND FRANKLIN INSTITUTE (GB) 2022-01-20 — — WO 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-20230272002-A1 PHOTOREDOX PROTEIN MODIFICATION PPOX, CACYBP, BRI3BP ALDH1A1 2976/4885LMNA 4279/4885MAPT 2269/4885

“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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