SCHEMBL5114092

SCHEMBL5114092

COc1ccc(S(=O)(=O)CNCCCCC(=O)N(C)Cc2ccc(C3=NCCN3C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.43
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HSP90AA1 P07900 1/20 0.33
SLC2A1 P11166 1/20 0.33
KAT8 Q9H7Z6 4/20 0.33
KAT6A Q92794 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL5119282 0.92 BDKRB1 (0.42) BDKRB1ALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5117876 0.91 BDKRB1 (0.38) BDKRB1ALDH1A1HTTTP53
SCHEMBL5118256 0.89 SMN1; SMN2 (0.35) BDKRB1ALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5125641 0.89 BDKRB1 (0.52) BDKRB1ALDH1A1HTTSMN1; SMN2KAT8
SCHEMBL5126495 0.88 BDKRB1 (0.38) BDKRB1ALDH1A1HTTTP53
SCHEMBL5124690 0.87 LMNA (0.41) BDKRB1TP53
SCHEMBL5114099 0.87 SLC2A1 (0.37) BDKRB1ALDH1A1SLC2A1TP53
SCHEMBL5114090 0.86 BDKRB1 (0.55) BDKRB1ALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5126334 0.85 BDKRB1 (0.40) BDKRB1TP53
SCHEMBL5114367 0.84 BDKRB1 (0.38) BDKRB1ALDH1A1HTTTP53

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-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 BDKRB1 1217/4885ALDH1A1 73/4885HTT 2903/4885

“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.