SCHEMBL10133086

SCHEMBL10133086

[O-][S+](CCc1ccccc1)Cc1ccc(-c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.41
SRC P12931 1/20 0.38
CES1 P23141 3/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FAAH O00519 1/20 0.34
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10133062 0.79 FFAR1 (0.43) RAB9A
SCHEMBL10133011 0.79 LTA4H (0.52) SRCNPC1RAB9A
SCHEMBL10132866 0.78 SRC (0.60) SRCNPC1RAB9A
SCHEMBL27843023 0.77 HIF1A (0.49) HIF1ASRCPDE10ANPC1NFKB1
SCHEMBL10133097 0.77 SRC (0.43) HIF1ASRCNPC1NFKB1RAB9A
SCHEMBL10133080 0.71 MMP12 (0.47) HIF1ASRCPDE10ANPC1NFKB1
SCHEMBL13960331 0.71 MMP3 (0.44) RAB9A
SCHEMBL349504 0.71 ALDH1A1 (0.48) NPC1NFKB1RAB9ASMN1; SMN2
SCHEMBL10133092 0.68 MMP12 (0.53) HIF1ASRCCES1FAAH
SCHEMBL10133090 0.68 MMP12 (0.50) HIF1ASRC

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 HIF1A 1753/4885SRC 68/4885CES1 3697/4885

“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.