SCHEMBL1619161

SCHEMBL1619161

O=S(=O)(O)c1cc(F)c(O)cc1I.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.37
CA3 P07451 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL1619158 0.79 PTGS1 (0.39) CA3CA9CA1CA2
SCHEMBL1619876 0.77 CA1 (0.35) TET2CA3CA9CA1CA2
SCHEMBL4565243 0.76 TET2 (0.35) TET2CA9CA1CA2LMNA
SCHEMBL30209352 0.69 CA3 (0.40) CA3CA9CA1CA2ESR1
SCHEMBL21614392 0.69 CA3 (0.40) CA3CA9CA1CA2ESR1
SCHEMBL6760303 0.68 SLC1A3 (0.41) TET2CA1CA2HSD17B10
SCHEMBL18066938 0.67 LMNA (0.50) TET2LMNAHPGDHIF1AHSD17B10
SCHEMBL20150025 0.67 CA1 (0.47) TET2CA3CA9CA1CA2
SCHEMBL17399692 0.67 HSD17B10 (0.36) TET2CA1CA2LMNAHPGD
Persilic Acid SCHEMBL6930479 0.67 HSD17B10 (0.44) LMNAHPGDHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928268-B2 Process for producing 1,2-dialkoxy-3-fluorobenzene ASAHI GLASS COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-20100286451-A1 Process for producing 1,2-dialkoxy-3-fluorobenzene ASAHI GLASS COMPANY, LIMITED 2010-11-11 US disclosed
US-7786330-B2 sulfonation, halogenation, deprotection, with 2-fluorophenol as starting material; industrial scale ASAHI GLASS COMPANY, LIMITED (JP) 2010-08-31 US disclosed
US-20090227817-A1 Process for producing 1,2-dialkoxy-3-fluorobenzene ASAHI GLASS COMPANY, LIMITED 2009-09-10 US disclosed
EP-2055692-A1 PROCESS FOR PRODUCING 1,2-DIALKOXY-3-FLUOROBENZENE Asahi Glass Co., Ltd. (JP) 2009-05-06 EP 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-20090227817-A1 Process for producing 1,2-dialkoxy-3-fluorobenzene HAAO, HDHD5, AFF2 TET2 489/4885CA3 590/4885CA9 316/4885
US-20100286451-A1 Process for producing 1,2-dialkoxy-3-fluorobenzene HAAO, HDHD5, AFF2 TET2 489/4885CA3 590/4885CA9 316/4885

“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.