SCHEMBL222082

SCHEMBL222082

COC(=O)c1cc(-c2cccnc2)cc2nc(N)sc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
PIK3CA P42336 2/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PIK3CD O00329 1/20 0.48
PIP5K1C O60331 1/20 0.48
PI4KA P42356 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
NR4A2 P43354 3/20 0.47
SLC2A1 P11166 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL221998 0.80 ABL1 (0.50)
SCHEMBL2760411 0.78 PIK3CD (0.57) PIK3CACYP19A1PIK3CDPIP5K1CPI4KA
SCHEMBL1858197 0.77 CFTR (0.58) CFTRCYP19A1CYP11B1CYP11B2NR4A2
SCHEMBL12264114 0.75 PIK3CD (0.53) PIK3CACYP19A1CYP11B1CYP11B2PIK3CD
SCHEMBL12509852 0.75 PIK3CA (0.56) PIK3CACYP19A1PIK3CDPIP5K1CPI4KA
SCHEMBL984327 0.73 ILK (0.59) CFTRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL222987 0.73 PIK3CD (0.51) PIK3CACYP19A1CYP11B1CYP11B2PIK3CD
SCHEMBL13188536 0.72 IKBKE (0.57) CFTRCYP19A1CYP11B1CYP11B2NR4A2
SCHEMBL223120 0.71 ABCB1 (0.52) CFTRCYP19A1CYP11B1CYP11B2NR4A2
SCHEMBL220748 0.71 ABL1 (0.52)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472585-B Antibacterial compositions BIOTA EUROPE LTD 2013-12-04 CN disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
CN-101472585-A Antibacterial compositions PROLYSIS LTD (GB) 2009-07-01 CN disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 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 (3 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 CFTR 164/4885PIK3CA 4048/4885CYP19A1 1099/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 CFTR 260/4885PIK3CA 3650/4885CYP19A1 1001/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 CFTR 111/4885PIK3CA 4048/4885CYP19A1 1205/4885

“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.