SCHEMBL6740295

SCHEMBL6740295

CS(=O)(=O)NCC(COc1ccc(C#N)cc1)OS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 1/20 0.43
TRPV4 Q9HBA0 2/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
AR P10275 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.38
CYP11B2 P19099 1/20 0.36
ADAM17 P78536 1/20 0.36
CYP19A1 P11511 2/20 0.35

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
SCHEMBL2966788 0.80 CA12 (0.42) ALDH1A1MMP2MMP3CA1CA2
SCHEMBL5965532 0.80 CA12 (0.42) ALDH1A1MMP2MMP3CA1CA2
SCHEMBL28903049 0.79 ALDH1A1 (0.48) ALDH1A1MMP2MMP3TRPV4HPGD
SCHEMBL28903050 0.79 ALDH1A1 (0.48) ALDH1A1MMP2MMP3TRPV4HPGD
SCHEMBL6315326 0.78 MAOB (0.45) MMP2HPGDARMAOBMAPT
SCHEMBL7243564 0.78 MAOB (0.45) MMP2HPGDARMAOBMAPT
SCHEMBL28903125 0.74 ALDH1A1 (0.44) ALDH1A1MMP2MMP3TRPV4HPGD
SCHEMBL15318148 0.71 GRIA4 (0.43) ALDH1A1MMP2MMP3CA1CA2
SCHEMBL20487521 0.71 GRIA4 (0.43) ALDH1A1MMP2MMP3CA1CA2
SCHEMBL14646429 0.71 GRIA4 (0.43) ALDH1A1MMP2MMP3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D ALDH1A1 790/4885MMP2 4073/4885MMP3 4101/4885

“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.