SCHEMBL4700945

SCHEMBL4700945

O=S(=O)(Cl)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA9 Q16790 2/20 0.54
CA12 O43570 1/20 0.54
AKR1C3 P42330 1/20 0.51
HTT P42858 1/20 0.50
GAA P10253 1/20 0.50
GCK P35557 4/20 0.49
GCKR Q14397 1/20 0.48
HSD11B1 P28845 3/20 0.48
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
CA1 P00915 2/20 0.45
CA7 P43166 2/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 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
SCHEMBL6674686 0.91 MAOB (0.53) CA2CA9CA12AKR1C3HTT
SCHEMBL6242244 0.86 CA2 (0.54) CA2CA9CA12AKR1C3HTT
SCHEMBL4698660 0.85 CA2 (0.56) CA2CA9CA12AKR1C3HTT
SCHEMBL2156809 0.85 KDM4E (0.55) CA2CA9CA12AKR1C3HTT
SCHEMBL28650484 0.83 CA12 (0.65) CA2CA9CA12AKR1C3ME2
SCHEMBL31605436 0.80 ALDH1A1 (0.67) CA2CA9CA12HTTHSD11B1
SCHEMBL28818511 0.77 HSD11B1 (0.60) HTTGAAGCKHSD11B1ALDH1A1
SCHEMBL5535690 0.77 CA12 (0.55) CA2CA9CA12AKR1C3ME2
SCHEMBL4754464 0.76 KDM4E (0.67) CA2CA9CA12HTTGAA
SCHEMBL31061307 0.76 IDO1 (0.44) HTTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-7132434-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050026990-A1 Novel metalloproteinase ihibitors ASTRAZENECA AB (SE) 2005-02-03 US disclosed
EP-1444202-A1 NOVEL METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040098-A1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2003-05-15 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-20050026990-A1 Novel metalloproteinase ihibitors MMP12, MMP1, MMP16 CA2 106/4885CA9 185/4885CA12 140/4885

“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.