SCHEMBL3434982

SCHEMBL3434982

O=[N+]([O-])c1cc(F)cc(F)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
HSPB1 P04792 2/20 0.38
EPAS1 Q99814 1/20 0.38
VCAM1 P19320 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HIF1A Q16665 2/20 0.33
TTR P02766 2/20 0.33
P2RY6 Q15077 1/20 0.33
SRD5A2 P31213 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33

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
SCHEMBL30829746 0.85 EPAS1 (0.42) TDP1ATMEPAS1VCAM1PTPN1
SCHEMBL15414956 0.85 EPAS1 (0.42) TDP1ATMEPAS1VCAM1PTPN1
SCHEMBL3434140 0.85 EPAS1 (0.37) TDP1ATMHSPB1EPAS1VCAM1
SCHEMBL777316 0.82 HTR1A (0.34) EPAS1CA1CA2
SCHEMBL6268161 0.80 PDE4A (0.39) TDP1HSPB1VCAM1MEN1KMT2A
SCHEMBL8268186 0.79 VCAM1 (0.41) TDP1EPAS1VCAM1ALDH1A1MAPK1
SCHEMBL2662046 0.79 HSPB1 (0.44) TDP1HSPB1EPAS1VCAM1MEN1
SCHEMBL3782270 0.76 KMT2A (0.44) MEN1KMT2AALDH1A1SRD5A2HPGD
SCHEMBL229088 0.76 HSPB1 (0.47) TDP1ATMHSPB1EPAS1MEN1
SCHEMBL31090808 0.76 HSPB1 (0.47) TDP1ATMHSPB1EPAS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 TDP1 1881/4885ATM 1967/4885HSPB1 3292/4885

“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.