SCHEMBL3335900

SCHEMBL3335900

O=S(=O)(OCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.66
CA1 P00915 13/20 0.66
CA9 Q16790 5/20 0.53
CA12 O43570 9/20 0.46
CA7 P43166 9/20 0.46
CA13 Q8N1Q1 9/20 0.46
TSHR P16473 1/20 0.40
FAAH O00519 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
ELANE P08246 1/20 0.39
PRTN3 P24158 1/20 0.39
PRSS3 P35030 1/20 0.39
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL14095683 0.88 CA2 (0.53) CA2CA1CA9CA12CA7
SCHEMBL776677 0.76 CA2 (0.61) CA2CA1CA9CA12CA7
SCHEMBL3688171 0.75 CA2 (0.50) CA2CA1CA9CA12CA7
SCHEMBL9658427 0.75 CA2 (0.59) CA2CA1CA9CA12CA7
SCHEMBL7286478 0.75 CA2 (0.59) CA2CA1CA9CA12CA7
SCHEMBL1263515 0.74 CA2 (0.63) CA2CA1CA9CA12CA7
SCHEMBL28624040 0.73 CA2 (0.68) CA2CA1CA9CA12CA7
SCHEMBL561014 0.73 CA2 (0.68) CA2CA1CA9CA12CA7
SCHEMBL776873 0.73 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL6888520 0.73 TDP1 (0.41) CA2CA1CA12CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100150835-A1 Synthesis of [18F] Fluoromethyl Benzene Using Benzyl Pentafluorobenzenesulfonate GE HEALTHCARE LIMITED (GB) 2010-06-17 US disclosed
US-20100150835-A1 Synthesis of [18F] Fluoromethyl Benzene Using Benzyl Pentafluorobenzenesulfonate GE HEALTHCARE LIMITED (GB) 2010-06-17 US disclosed
US-20100150835-A1 Synthesis of [18F] Fluoromethyl Benzene Using Benzyl Pentafluorobenzenesulfonate GE HEALTHCARE LIMITED (GB) 2010-06-17 US disclosed
US-20100150835-A1 Synthesis of [18F] Fluoromethyl Benzene Using Benzyl Pentafluorobenzenesulfonate GE HEALTHCARE LIMITED (GB) 2010-06-17 US disclosed
WO-2008106442-A1 SYNTHESIS OF [18F] FLUOROMETHYL BENZENE USING BENZYL PENTAFLUOROBENZENESULFONATE GE HEALTHCARE LIMITED (GB) 2008-09-04 WO disclosed
WO-2008106442-A1 SYNTHESIS OF [18F] FLUOROMETHYL BENZENE USING BENZYL PENTAFLUOROBENZENESULFONATE GE HEALTHCARE LIMITED (GB) 2008-09-04 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-20100150835-A1 Synthesis of [18F] Fluoromethyl Benzene Using Benzyl Pentafluorobenzenesulfonate PFAS, FES, CDC73 CA2 3960/4885CA1 3537/4885CA9 2124/4885

“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.