SCHEMBL3076728

SCHEMBL3076728

CCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2ncco2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
CLK1 P49759 1/20 0.46
CKS1B P61024 2/20 0.46
SKP2 Q13309 2/20 0.46
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SQSTM1 Q13501 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SLC20A2 Q08357 1/20 0.42
SLC20A1 Q8WUM9 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
SCHEMBL31478916 0.91 AXL (0.53) AXLSLC40A1CLK1CKS1BSKP2
SCHEMBL3097960 0.91 AXL (0.53) AXLSLC40A1CLK1CKS1BSKP2
SCHEMBL30304828 0.85 SLC40A1 (0.51) AXLSLC40A1CLK1CKS1BSKP2
SCHEMBL4727559 0.85 SLC40A1 (0.51) AXLSLC40A1CLK1CKS1BSKP2
SCHEMBL6374430 0.85 SLC40A1 (0.46) AXLSLC40A1CLK1CKS1BSKP2
SCHEMBL4777143 0.84 SLC40A1 (0.49) AXLSLC40A1CLK1CKS1BSKP2
SCHEMBL4779280 0.84 SLC40A1 (0.51) AXLSLC40A1CLK1CKS1BSKP2
SCHEMBL3078414 0.83 SLC40A1 (0.57) SLC40A1CLK1CKS1BSKP2NR3C1
SCHEMBL31478924 0.83 SLC40A1 (0.57) SLC40A1CLK1CKS1BSKP2NR3C1
SCHEMBL4779284 0.83 AXL (0.51) AXLSLC40A1CLK1CKS1BSKP2

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 914/4885SLC40A1 2689/4885CLK1 2218/4885

“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.