SCHEMBL4282718

SCHEMBL4282718

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.63
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSPD1 P10809 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN5 P54829 1/20 0.51
HSPE1 P61604 1/20 0.51
PKM P14618 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
IDH1 O75874 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC22A12 Q96S37 1/20 0.48

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
SCHEMBL3917522 0.83 AR (0.67) ARGAASMN1; SMN2HSPD1PTPN2
SCHEMBL27176653 0.83 GAA (0.60) ARGAASMN1; SMN2HSPD1PTPN2
SCHEMBL31236029 0.81 FFAR4 (0.50) ARSMN1; SMN2IDH1ATMKIF11
SCHEMBL7445075 0.81 GAA (0.64) ARGAASMN1; SMN2HSPD1PTPN2
SCHEMBL410747 0.80 AR (0.67) ARGAASMN1; SMN2HSPD1PTPN2
SCHEMBL31235173 0.80 AR (0.67) ARGAASMN1; SMN2HSPD1PTPN2
SCHEMBL95754 0.79 GAA (0.66) ARGAASMN1; SMN2HSPD1PTPN2
SCHEMBL31679916 0.79 MAPT (0.52) SMN1; SMN2IDH1ATMKIF11MEN1
SCHEMBL30210899 0.79 ATM (0.42) ARSMN1; SMN2IDH1ATMKIF11
SCHEMBL2452111 0.78 GAA (0.64) ARGAASMN1; SMN2HSPD1PTPN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AR 2530/4885GAA 1381/4885SMN1; SMN2 4811/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AR 2530/4885GAA 1381/4885SMN1; SMN2 4811/4885

“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.