SCHEMBL25754904

SCHEMBL25754904

CCOC(=O)C(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 1/20 0.44
ALOX5 P09917 1/20 0.41
TBXA2R P21731 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 2/20 0.39
ALOX12 P18054 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
HTT P42858 1/20 0.39
IDH1 O75874 4/20 0.38

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
SCHEMBL23833734 0.93 LMNA (0.44) ALOX5TBXA2RSMN1; SMN2MAPTKMT2A
SCHEMBL25754907 0.91 IDH1 (0.48) NHERF1TBXA2RSMN1; SMN2MAPTKMT2A
SCHEMBL25754910 0.77 NHERF1 (0.48) NHERF1TBXA2RSMN1; SMN2MAPTKMT2A
SCHEMBL25754703 0.73 CYP19A1 (0.44) TBXA2RSMN1; SMN2MAPTKMT2ATDP1
SCHEMBL23833751 0.72 TBXA2R (0.47) NHERF1TBXA2RSMN1; SMN2MAPTKMT2A
SCHEMBL31001013 0.72 ALDH1A1 (0.46) SMN1; SMN2MAPTKMT2ALMNAMAPK1
SCHEMBL19332218 0.72 ALDH1A1 (0.46) SMN1; SMN2MAPTKMT2ALMNAMAPK1
SCHEMBL23833717 0.71 CA2 (0.49) TBXA2RMAPTKMT2ALMNATDP1
SCHEMBL23833756 0.70 POLB (0.56) TBXA2RSMN1; SMN2MAPTKMT2ALMNA
SCHEMBL16064422 0.69 ALDH1A1 (0.54) SMN1; SMN2MAPTKMT2ALMNAMAPK1

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 NHERF1 960/4885ALOX5 4318/4885TBXA2R 3207/4885

“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.