SCHEMBL23833733

SCHEMBL23833733

COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ALPL P05186 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TBXA2R P21731 5/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 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
SCHEMBL25754683 0.89 POLB (0.57) POLBL3MBTL1HPGDALDH1A1LMNA
SCHEMBL25754826 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ALPLMAPTNPSR1
SCHEMBL25754724 0.80 L3MBTL1 (0.61) POLBL3MBTL1HPGDALDH1A1LMNA
SCHEMBL30199628 0.78 POLB (0.56) POLBL3MBTL1HPGDALDH1A1LMNA
SCHEMBL23833774 0.78 POLB (0.56) POLBL3MBTL1HPGDALDH1A1LMNA
SCHEMBL25754734 0.78 POLB (0.55) POLBL3MBTL1HPGDALDH1A1LMNA
SCHEMBL25754681 0.77 MEN1 (0.73) POLBL3MBTL1HPGDALDH1A1LMNA
SCHEMBL25754684 0.76 HPGD (0.62) POLBL3MBTL1HPGDALDH1A1LMNA
SCHEMBL25754679 0.75 SMN1; SMN2 (0.64) POLBHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL25754747 0.73 ALPL (0.55) POLBL3MBTL1HPGDALDH1A1LMNA

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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
EP-4121029-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 POLB 1494/4885L3MBTL1 2375/4885HPGD 2112/4885

“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.