SCHEMBL3083591

SCHEMBL3083591

COc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2ccco2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC20A2 Q08357 1/20 0.54
SLC20A1 Q8WUM9 1/20 0.54
AXL P30530 1/20 0.49
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47
USP2 O75604 1/20 0.47
USP8 P40818 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
IDH2 P48735 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3101140 0.92 SLC20A2 (0.52) SLC20A2SLC20A1AXLPLAUPLAT
SCHEMBL4781851 0.87 AXL (0.49) SLC20A2SLC20A1AXLNR3C1PGR
SCHEMBL4780290 0.84 MEN1 (0.50) SLC20A2SLC20A1NR3C1PGRAR
SCHEMBL4779095 0.84 MEN1 (0.57) NR3C1PGRARESR2GAA
SCHEMBL30304653 0.84 MEN1 (0.57) NR3C1PGRARESR2GAA
SCHEMBL31478916 0.83 AXL (0.53) SLC20A2SLC20A1AXLPLAUPLAT
SCHEMBL3097960 0.83 AXL (0.53) SLC20A2SLC20A1AXLPLAUPLAT
SCHEMBL7572438 0.82 SLC20A2 (0.63) SLC20A2SLC20A1AXLPLAUPLAT
SCHEMBL4775594 0.79 SLC20A2 (0.51) SLC20A2SLC20A1AXLPLAUPLAT
SCHEMBL4725832 0.78 LMNA (0.47) NR3C1PGRARESR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 SLC20A2 2132/4885SLC20A1 2421/4885AXL 914/4885

“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.