SCHEMBL4618486

SCHEMBL4618486

O=[N+]([O-])c1cc(S(=O)(=O)c2cccc(Cl)c2)ccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.54
VCAM1 P19320 1/20 0.51
KIF18A Q8NI77 1/20 0.50
HSD11B1 P28845 1/20 0.49
HTT P42858 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
EPAS1 Q99814 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
KIF11 P52732 1/20 0.44
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ11 Q14654 2/20 0.44
KCNJ8 Q15842 2/20 0.44
NPY1R P25929 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
SCHEMBL4618216 0.86 KMT2A (0.55) CCR2VCAM1KIF18AHTTMAPT
SCHEMBL4618632 0.81 ABCC9 (0.47) CCR2VCAM1HTTMAPTLMNA
SCHEMBL4617825 0.80 VCAM1 (0.57) CCR2VCAM1HSD11B1HTTLMNA
SCHEMBL2653845 0.79 CCR2 (0.55) CCR2VCAM1KIF18AHTTMAPT
SCHEMBL4617109 0.79 HSD11B1 (0.52) HSD11B1MAPTLMNAALDH1A1EPAS1
SCHEMBL4673628 0.78 CCR2 (0.52) CCR2VCAM1ALDH1A1KIF11TDP1
SCHEMBL4617061 0.78 HSD11B1 (0.54) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15307418 0.76 KIF18A (0.64) VCAM1KIF18AHSD11B1HTTMAPT
SCHEMBL4615874 0.76 PKM (0.51) CCR2VCAM1HSD11B1MAPTLMNA
SCHEMBL4617928 0.76 KMT2A (0.54) CCR2VCAM1KIF18AHSD11B1KMT2A

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 CCR2 3674/4885VCAM1 2183/4885KIF18A 4175/4885

“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.