SCHEMBL515113

SCHEMBL515113

CCOC(=O)N(c1ccccc1CN1COC(C)(C)C(Br)C1=O)S(=O)(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL513789 0.83 ALDH1A1 (0.31) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL16862449 0.80 ALDH1A1 (0.38) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL514316 0.78 ALDH1A1 (0.34) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL1964874 0.77 ALDH1A1 (0.34) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL16862460 0.77 ALDH1A1 (0.38) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL1967251 0.77 ALDH1A1 (0.38) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL514096 0.76 CMA1 (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL1967282 0.76 KMT2A (0.39) ALDH1A1KDM4E
SCHEMBL16862452 0.75 KDM4E (0.34) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL514567 0.74 ALDH1A1 (0.33) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3

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
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ALDH1A1 1574/4885MAPT 4824/4885HPGD 3162/4885

“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.