SCHEMBL2113760

SCHEMBL2113760

Cc1cc(NS(C)(=O)=O)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HTT P42858 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
BACE1 P56817 1/20 0.33
NNMT P40261 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
SCHEMBL5764124 0.91 NOS3 (0.41) ABL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19530283 0.81 ALDH1A1 (0.35) ABL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1460066 0.75 NNMT (0.50) ABL1ALDH1A1MEN1KMT2ANNMT
SCHEMBL23000133 0.74 KDM4E (0.44) ABL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15465429 0.73 TDO2 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4751919 0.73 NNMT (0.37) ABL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3466637 0.73 MTOR (0.43) ABL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1458885 0.72 GAA (0.32) ABL1ALDH1A1MEN1KMT2APIK3CB
SCHEMBL31274000 0.72 EDNRA (0.47) ABL1ALDH1A1KDM4ESLC22A12PIK3CB
SCHEMBL358579 0.71 L3MBTL1 (0.53) ABL1KDM4EPIK3CGNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US 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 (2 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 ABL1 846/4885ALDH1A1 284/4885KDM4E 1696/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 ABL1 846/4885ALDH1A1 284/4885KDM4E 1696/4885

“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.