SCHEMBL4617825

SCHEMBL4617825

O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(F)cc2)ccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.57
CCR2 P41597 3/20 0.49
KIF11 P52732 1/20 0.48
PTPN1 P18031 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
NOD2 Q9HC29 1/20 0.43
AR P10275 2/20 0.43
ALDH3A1 P30838 1/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 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
SCHEMBL4618216 0.88 KMT2A (0.55) VCAM1CCR2KIF11PTPN1LMNA
SCHEMBL4615874 0.83 PKM (0.51) VCAM1CCR2KIF11PTPN1LMNA
SCHEMBL4506814 0.82 TDP1 (0.55) CCR2KIF11LMNASMN1; SMN2MAPK1
SCHEMBL4618486 0.80 CCR2 (0.54) VCAM1CCR2KIF11LMNASMN1; SMN2
SCHEMBL4617928 0.80 KMT2A (0.54) VCAM1CCR2KIF11ABCC9ABCC8
SCHEMBL4673628 0.80 CCR2 (0.52) VCAM1CCR2KIF11PTPN1TDP1
SCHEMBL27677622 0.78 VCAM1 (0.60) VCAM1LMNASMN1; SMN2GAAMAPK1
SCHEMBL4617709 0.78 VCAM1 (0.61) VCAM1
SCHEMBL4618632 0.77 ABCC9 (0.47) VCAM1CCR2KIF11PTPN1LMNA
SCHEMBL4617436 0.76 FFAR4 (0.51) KIF11LMNAGAAABCC9ABCC8

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
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 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-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 VCAM1 2183/4885CCR2 3674/4885KIF11 3790/4885

“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.