SCHEMBL25754769

SCHEMBL25754769

O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOc3ccccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
ACHE P22303 1/20 0.52
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NR1H3 Q13133 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44

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
SCHEMBL5466433 0.93 LMNA (0.55) NPC1LMNAALDH1A1KMT2AMEN1
SCHEMBL25754716 0.86 NR1H3 (0.52) NPC1LMNAALDH1A1KMT2AMEN1
SCHEMBL25754768 0.86 ACHE (0.51) NPC1LMNAALDH1A1KMT2AMEN1
SCHEMBL25754713 0.86 LMNA (0.50) NPC1LMNAALDH1A1KMT2AMEN1
SCHEMBL5472525 0.86 LMNA (0.52) LMNAALDH1A1KMT2AMEN1ACHE
SCHEMBL5474232 0.82 MET (0.50) LMNAALDH1A1KMT2AMEN1ACHE
SCHEMBL5472744 0.81 KMT2A (0.57) LMNAALDH1A1KMT2AMEN1ACHE
SCHEMBL3001581 0.81 VCAM1 (0.55) NPC1ALDH1A1KMT2AMEN1POLB
SCHEMBL5470878 0.81 ACHE (0.47) LMNAALDH1A1KMT2AMEN1ACHE
SCHEMBL5461485 0.81 ACHE (0.47) LMNAALDH1A1KMT2AMEN1ACHE

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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 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 (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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 NPC1 1821/4885LMNA 3435/4885ALDH1A1 2569/4885

“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.