SCHEMBL10133055

SCHEMBL10133055

O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
CNR1 P21554 2/20 0.52
CA12 O43570 3/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MMP2 P08253 3/20 0.44
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 2/20 0.44
NR3C1 P04150 1/20 0.44
NR3C2 P08235 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL15271117 0.92 CA2 (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL15055120 0.92 CA2 (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL10133065 0.90 CA2 (0.62) CA2CA1CNR1CA12ALDH1A1
SCHEMBL13960178 0.81 CA2 (0.55) CA2CA1CA12ALDH1A1CA7
SCHEMBL813026 0.80 CA2 (0.68) CA2CA1CA12CA9ALDH1A1
SCHEMBL23703127 0.75 CYP19A1 (0.51) CA2CA1CA12ALDH1A1CA7
SCHEMBL15270891 0.75 CA2 (0.56) CA2CA1CA12ALDH1A1CA7
SCHEMBL15056013 0.75 SGMS1 (0.50) CA2CA1MMP2MMP1MMP9
SCHEMBL13895320 0.75 CA2 (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL10494718 0.75 CA2 (0.56) CA2CA1CA12CA9ALDH1A1

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
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 CA2 2898/4885CA1 4056/4885CNR1 3606/4885

“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.