SCHEMBL514794

SCHEMBL514794

CCOC(=O)N(c1ccccc1CN1CCS(=O)(=O)CC1=O)S(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 3/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 2/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1967282 0.85 KMT2A (0.39) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL514567 0.83 ALDH1A1 (0.33) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL514096 0.83 CMA1 (0.37) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL1964874 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL1966626 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EGAAKMT2ASLC6A2
SCHEMBL16862452 0.82 KDM4E (0.34) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL16862460 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2ASLC6A2SLC6A4
SCHEMBL16862449 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2ASLC6A2SLC6A4
SCHEMBL514316 0.78 ALDH1A1 (0.34) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL1967251 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EGAAKMT2ASLC6A2

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 1574/4885KDM4E 3260/4885GAA 4215/4885

“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.