SCHEMBL3098055

SCHEMBL3098055

COc1ccc(NS(=O)(=O)c2cccc(F)c2)c(-c2ncco2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.52
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
GLO1 Q04760 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PGAM1 P18669 1/20 0.43
STAT3 P40763 2/20 0.43
PGR P06401 1/20 0.42
MAP2K4 P45985 1/20 0.41
SCN9A Q15858 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL18315257 0.88 KEAP1 (0.50) AXLKEAP1NFE2L2GLO1SLC40A1
SCHEMBL30304671 0.88 KEAP1 (0.50) AXLKEAP1NFE2L2GLO1SLC40A1
SCHEMBL31478916 0.87 AXL (0.53) AXLKEAP1NFE2L2GLO1SLC40A1
SCHEMBL3097960 0.87 AXL (0.53) AXLKEAP1NFE2L2GLO1SLC40A1
SCHEMBL3095654 0.87 STAT3 (0.51) KEAP1NFE2L2GLO1STAT3SCN9A
SCHEMBL4779121 0.86 KEAP1 (0.45) AXLKEAP1NFE2L2GLO1SLC40A1
SCHEMBL4781379 0.85 TSHR (0.46) KEAP1NFE2L2STAT3SCN9AMEN1
SCHEMBL4780415 0.84 MEN1 (0.57) KEAP1NFE2L2PGRMEN1KMT2A
SCHEMBL4780299 0.84 CYP3A4 (0.41) AXLCYP3A4CYP2C9MEN1KMT2A
SCHEMBL4781526 0.84 MEN1 (0.48) STAT3SCN9AMEN1KMT2A

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 AXL 914/4885KEAP1 821/4885NFE2L2 2162/4885

“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.