SCHEMBL6696537

SCHEMBL6696537

Cc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)NC2CCCCCC2)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.65
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6697134 1.00 BDKRB1 (0.65) BDKRB1ALDH1A1POLBKDM4ETSHR
SCHEMBL6696538 1.00 BDKRB1 (0.65) BDKRB1ALDH1A1POLBKDM4ETSHR
SCHEMBL4552662 0.88 BDKRB1 (0.63) BDKRB1ALDH1A1POLBEPHX2
SCHEMBL5566662 0.88 BDKRB1 (0.63) BDKRB1ALDH1A1POLBEPHX2
SCHEMBL4432052 0.83 ALDH1A1 (0.76) BDKRB1ALDH1A1POLBKDM4EHSD17B10
SCHEMBL4425413 0.83 BDKRB1 (0.68) BDKRB1ALDH1A1POLBMEN1KMT2A
SCHEMBL4420739 0.83 BDKRB1 (0.68) BDKRB1ALDH1A1POLBMEN1KMT2A
SCHEMBL6698072 0.82 BDKRB1 (0.73) BDKRB1ALDH1A1POLBHTTHSD17B10
SCHEMBL6712062 0.82 BDKRB1 (0.67) BDKRB1ALDH1A1POLBMEN1KMT2A
SCHEMBL6406112 0.82 BDKRB1 (0.67) BDKRB1ALDH1A1POLBKDM4EHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BAYER HEALTHCARE AG (DE) 2004-11-25 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-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BDKRB2, BDKRB1, LTB4R2 BDKRB1 2/4885ALDH1A1 4292/4885POLB 3847/4885

“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.