SCHEMBL10133065

SCHEMBL10133065

O=S(=O)(Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.62
CA1 P00915 4/20 0.62
CA12 O43570 2/20 0.57
CA7 P43166 2/20 0.57
CA14 Q9ULX7 2/20 0.57
ALDH1A1 P00352 2/20 0.56
MMP8 P22894 2/20 0.53
MMP13 P45452 2/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
KEAP1 Q14145 1/20 0.52
ACLY P53396 1/20 0.50
CNR1 P21554 2/20 0.49
LMNA P02545 1/20 0.49
NR3C1 P04150 1/20 0.48
NR3C2 P08235 1/20 0.48
MMP12 P39900 1/20 0.47
HTT P42858 1/20 0.47
OPRK1 P41145 1/20 0.46

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
SCHEMBL813026 0.90 CA2 (0.68) CA2CA1CA12CA7CA14
SCHEMBL10133055 0.90 CA2 (0.55) CA2CA1CA12CA7CA14
SCHEMBL13960178 0.90 CA2 (0.55) CA2CA1CA12CA7CA14
SCHEMBL15271117 0.84 CA2 (0.55) CA2CA1CA12CA7CA14
SCHEMBL13895320 0.84 CA2 (0.55) CA2CA1CA12CA7CA14
SCHEMBL31201808 0.84 CA2 (0.56) CA2CA1CA12CA7CA14
SCHEMBL10494718 0.84 CA2 (0.56) CA2CA1CA12CA7CA14
SCHEMBL15055120 0.84 CA2 (0.55) CA2CA1CA12CA7CA14
SCHEMBL30361414 0.84 CA2 (0.56) CA2CA1CA12CA7CA14
SCHEMBL10494679 0.81 CA2 (0.53) CA2CA1CA12CA7CA14

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 4056/4885CA12 4398/4885

“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.