SCHEMBL23833751

SCHEMBL23833751

CCOC(=O)CCCCCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.47
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.44
NHERF1 O14745 1/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 4/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
XBP1 P17861 1/20 0.43
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL23846462 0.85 MAPT (0.49) MAPTSMN1; SMN2NHERF1KMT2AMEN1
SCHEMBL23833766 0.83 ALDH1A1 (0.45) TBXA2RMAPTKDM4EKMT2AMEN1
SCHEMBL25754910 0.80 NHERF1 (0.48) TBXA2RMAPTSMN1; SMN2KDM4ENHERF1
SCHEMBL25759529 0.77 MAPT (0.48) MAPTSMN1; SMN2KDM4ENHERF1KMT2A
SCHEMBL23833756 0.76 POLB (0.56) TBXA2RMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL14363209 0.74 MAPT (0.53) MAPTKDM4EKMT2ATDP1MAPK1
SCHEMBL23833768 0.74 ALDH1A1 (0.49) TBXA2RMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL14363207 0.73 MAPT (0.52) MAPTKDM4EKMT2ALMNATDP1
SCHEMBL25754703 0.73 CYP19A1 (0.44) TBXA2RMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL13244175 0.72 MAPT (0.53) MAPTSMN1; SMN2KDM4EKMT2ALMNA

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 TBXA2R 3207/4885MAPT 89/4885SMN1; SMN2 405/4885

“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.