SCHEMBL5562608

SCHEMBL5562608

CC(C)(C)OC(=O)C(Br)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.40
LMNA P02545 3/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC7A5 Q01650 1/20 0.38

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
SCHEMBL636115 0.81 AAK1 (0.47) AAK1TDP1L3MBTL1ALDH1A1TSHR
SCHEMBL15834922 0.79 AAK1 (0.46) AAK1TDP1L3MBTL1ALDH1A1TSHR
SCHEMBL9292700 0.78 AAK1 (0.45) AAK1TDP1L3MBTL1ALDH1A1TSHR
SCHEMBL27981095 0.78 AAK1 (0.45) AAK1TDP1L3MBTL1ALDH1A1TSHR
SCHEMBL396482 0.77 MEN1 (0.56) TDP1L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL8204476 0.77 PDCD1 (0.46) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL21916001 0.77 ALDH1A1 (0.51) TDP1L3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL330776 0.77 TDP1 (0.56) TDP1L3MBTL1ALDH1A1TSHRHSD17B10
SCHEMBL15759488 0.77 TDP1 (0.44) TDP1L3MBTL1ALDH1A1TSHRHSD17B10
SCHEMBL355454 0.75 CES2 (0.53) AAK1TDP1L3MBTL1ALDH1A1TSHR

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
EP-1000040-B1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
EP-1206471-B1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-03-01 EP disclosed
US-6911444-B2 Non-steroidal IL-5 inhibitors, processes and intermediates for their preparation and pharmaceutical compositions comprising said inhibitors JANSSEN PHARMACEUTICS N.V. (BE) 2005-06-28 US disclosed
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2005-04-28 US disclosed
US-6867207-B2 IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-15 US disclosed
US-20040167333-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2004-08-26 US disclosed
US-20030114453-A1 Non-steroidal IL-5 inhibitors, processes and intermediates for their preparation and pharmaceutical compositions comprising said inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-19 US disclosed
US-20020072603-A1 Novel IL-5 inhibiting 6-azauracil derivatives LACRAMPE JEAN FERNAND ARMAND (FR) 2002-06-13 US disclosed
CN-1262679-A IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA NV (BE) 2000-08-09 CN 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 (4 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-20040167333-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs IL6ST, CXCR5, ALOX5 AAK1 4510/4885TDP1 4646/4885L3MBTL1 3677/4885
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs CXCR5, HCAR3, IL6ST AAK1 4102/4885TDP1 4740/4885L3MBTL1 2350/4885
US-20030114453-A1 Non-steroidal IL-5 inhibitors, processes and intermediates for their preparation and pharmaceutical compositions comprising said inhibitors IL5, IL15, IL15RA AAK1 4021/4885TDP1 4615/4885L3MBTL1 4868/4885
US-20020072603-A1 Novel IL-5 inhibiting 6-azauracil derivatives IL6ST, ALOX5, IL5 AAK1 4518/4885TDP1 4101/4885L3MBTL1 3378/4885

“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.