SCHEMBL4615874

SCHEMBL4615874

COc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
PTPN1 P18031 1/20 0.51
CCR2 P41597 3/20 0.48
VCAM1 P19320 1/20 0.48
HSD11B1 P28845 1/20 0.47
ALDH3A1 P30838 1/20 0.45
GAA P10253 2/20 0.45
KIF11 P52732 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 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
SCHEMBL4618632 0.88 ABCC9 (0.47) PTPN1CCR2VCAM1GAAKIF11
SCHEMBL9385318 0.84 ALDH1A1 (0.51) PKMKIF11KMT2ALMNAMAPK1
SCHEMBL29559830 0.84 ALDH1A1 (0.51) PKMKIF11KMT2ALMNAMAPK1
SCHEMBL14553430 0.83 PKM (0.58) PKMPTPN1VCAM1HSD11B1ALDH3A1
SCHEMBL4618216 0.83 KMT2A (0.55) PTPN1CCR2VCAM1GAAKIF11
SCHEMBL4617825 0.83 VCAM1 (0.57) PTPN1CCR2VCAM1HSD11B1ALDH3A1
SCHEMBL7536269 0.83 PKM (0.61) PKMPTPN1VCAM1ALDH3A1GAA
SCHEMBL7534749 0.82 VCAM1 (0.73) PKMPTPN1VCAM1HSD11B1ALDH3A1
SCHEMBL11848662 0.79 PKM (0.56) PKMPTPN1VCAM1ALDH3A1GAA
SCHEMBL4618976 0.79 PKM (0.56) PKMHSD11B1GAAKMT2AFFAR4

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 PKM 4493/4885PTPN1 265/4885CCR2 3674/4885

“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.