SCHEMBL25754907

SCHEMBL25754907

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.48
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MCL1 Q07820 1/20 0.42
TBXA2R P21731 2/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NHERF1 O14745 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HIF1A Q16665 1/20 0.40
ALOX12 P18054 1/20 0.39

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) TBXA2RMAPTKMT2AMEN1GAA
SCHEMBL25754904 0.91 NHERF1 (0.44) IDH1TBXA2RMAPTKMT2AMEN1
SCHEMBL25754913 0.77 IDH1 (0.52) IDH1PLA2G1BATG4BMCL1TBXA2R
SCHEMBL25759085 0.77 IDH1 (0.53) IDH1PLA2G1BATG4BMCL1MAPT
SCHEMBL25754707 0.73 MAPT (0.54) IDH1PLA2G1BATG4BMCL1MAPT
SCHEMBL7580547 0.73 IDH1 (0.71) IDH1MCL1SMN1; SMN2L3MBTL1NHERF1
SCHEMBL1625289 0.72 MAPT (0.52) MAPTKMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL25754726 0.70 IDH1 (0.61) IDH1TBXA2RHTTLMNASMN1; SMN2
SCHEMBL30218156 0.70 IDH1 (0.54) IDH1PLA2G1BATG4BMCL1MAPT
SCHEMBL23832701 0.70 IDH1 (0.54) IDH1PLA2G1BATG4BMCL1MAPT

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 IDH1 442/4885PLA2G1B 4013/4885ATG4B 2262/4885

“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.