SCHEMBL844606

SCHEMBL844606

CC(C)NS(=O)(=O)c1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.46
PIK3CD O00329 2/20 0.44
PIK3CG P48736 2/20 0.44
PIK3CA P42336 1/20 0.44
EGFR P00533 5/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APLNR P35414 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GFER P55789 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL1348511 0.83 S100A9 (0.44) S100A9EGFRKDM1AMAOAALDH1A1
SCHEMBL1771843 0.80 S100A9 (0.49) S100A9PIK3CDPIK3CGEGFRKDM1A
SCHEMBL11687798 0.80 ALDH1A1 (0.44) ALDH1A1KMT2AGFERLMNAMMP1
SCHEMBL25820334 0.79 PIK3CD (0.44) PIK3CDPIK3CGPIK3CAALDH1A1MEN1
SCHEMBL15052712 0.77 S100A9 (0.39) S100A9EGFRKDM1AMAOAALDH1A1
SCHEMBL2372109 0.77 S100A9 (0.49) S100A9EGFRKDM1AMAOAALDH1A1
SCHEMBL3346180 0.76 SMN1; SMN2 (0.59) S100A9EGFRKDM1AMAOAALDH1A1
SCHEMBL1348246 0.76 ALDH1A1 (0.51) S100A9PIK3CDPIK3CGPIK3CAEGFR
SCHEMBL578845 0.76 PIK3CD (0.43) PIK3CDPIK3CGPIK3CAALDH1A1MEN1
SCHEMBL4637538 0.76 PIK3CD (0.44) PIK3CDPIK3CGPIK3CAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367830-B2 Methods for the identification of phosphatidylinositol kinase interacting molecules and for the purification of phosphatidylinositol kinase proteins CELLZOME AG (DE) 2013-02-05 US disclosed
US-8367830-B2 Methods for the identification of phosphatidylinositol kinase interacting molecules and for the purification of phosphatidylinositol kinase proteins CELLZOME AG (DE) 2013-02-05 US disclosed
US-8367830-B2 Methods for the identification of phosphatidylinositol kinase interacting molecules and for the purification of phosphatidylinositol kinase proteins CELLZOME AG (DE) 2013-02-05 US disclosed
US-20120135421-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2012-05-31 US disclosed
US-20120135421-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2012-05-31 US disclosed
US-20120135421-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2012-05-31 US disclosed
EP-2432782-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2012-03-28 EP disclosed
WO-2010133318-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2010-11-25 WO disclosed
WO-2010092015-A1 UREA TRIAZOLOLO [1, 5-A] PYRIDINE DERIVATIVES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2010-08-19 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-20120135421-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS PIP4K2B, PIP4K2C, PI4KB S100A9 4244/4885PIK3CD 17/4885PIK3CG 18/4885

“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.