SCHEMBL5377341

SCHEMBL5377341

O=C(O)CCNCS(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
HTT P42858 1/20 0.42
APEX1 P27695 1/20 0.42
ITGAV P06756 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
FABP4 P15090 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PGR P06401 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
TSHR P16473 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL5111162 0.92 CDC25A (0.45) CDC25ACDC25BHTTAPEX1ITGAV
SCHEMBL5115200 0.91 FABP4 (0.46) CDC25ACDC25BHTTAPEX1ITGAV
SCHEMBL5393177 0.84 ITGAV (0.44) ITGAVMCOLN3ALDH1A1PGRERCC5
SCHEMBL5125393 0.83 KMT2A (0.39) HTTITGAVMCOLN3ALDH1A1PGR
SCHEMBL5384990 0.82 DRD2 (0.37) ITGAVMCOLN3
SCHEMBL6884908 0.80 POLB (0.44) CDC25AITGAVCA1CA2MCOLN3
SCHEMBL12916500 0.79 FABP4 (0.51) CDC25ACDC25BAPEX1ITGAVFABP4
SCHEMBL5117224 0.79 FABP4 (0.51) CDC25ACDC25BHTTCA1CA2
SCHEMBL5118899 0.77 ITGAV (0.40) ITGAVMCOLN3PGRERCC5FEN1
SCHEMBL5118903 0.77 ITGAV (0.40) ITGAVMCOLN3PGRERCC5FEN1

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-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 CDC25A 2035/4885CDC25B 2509/4885HTT 3739/4885

“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.