SCHEMBL1776619

SCHEMBL1776619

O=S(=O)(O)Oc1c(-c2ccc3ccccc3c2O)c(Br)c(Br)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ CTRB1 P17538 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ DNMT1 P26358 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ DHFR P00374 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ MPL P40238 1/20 0.32
▸ CTRC Q99895 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ NEK2 P51955 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5745253 0.77 POLB (0.47) POLBPTPN22LDHADHFRMEN1
SCHEMBL8770818 0.70 ERN1 (0.49) POLBPTPN22MPLCTRCMEN1
SCHEMBL8770826 0.70 SLC22A6 (0.47) CTRB1PTPN22LDHAMPLCTRC
SCHEMBL18263183 0.67 POLB (0.59) POLBPTPN22LDHAALDH1A1
SCHEMBL11765036 0.67 SLC22A6 (0.47) ALDH1A1MAPTKDM4EGAANCEH1
SCHEMBL28781899 0.66 CA12 (0.46) POLBCTRB1PTPN22DNMT1LDHA
SCHEMBL374807 0.66 PTPN22 (0.65) POLBPTPN22LDHAALDH1A1
SCHEMBL29401627 0.66 PTPN22 (0.65) POLBPTPN22LDHAALDH1A1
SCHEMBL22207936 0.65 TSHR (0.46) ALDH1A1NCEH1
SCHEMBL8017323 0.65 SLC22A6 (0.42) POLBMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004622-B1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GMBH (DE) 2011-12-14 — — EP claimed
US-7943061-B2 Chiral binaphthyl sulfates for use as liquid crystal materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-17 — — US claimed
US-20100019199-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 — — US claimed
EP-2004622-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS Merck Patent GmbH (DE) 2008-12-24 — — EP claimed
WO-2007115639-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GMBH (DE) 2007-10-18 — — WO claimed
EP-2004622-B1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GMBH (DE) 2011-12-14 — — EP disclosed
US-7943061-B2 Chiral binaphthyl sulfates for use as liquid crystal materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-17 — — US disclosed
US-20100019199-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 — — US disclosed
EP-2004622-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS Merck Patent GmbH (DE) 2008-12-24 — — EP disclosed
WO-2007115639-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GMBH (DE) 2007-10-18 — — 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-20100019199-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS DVL3, DVL1, EBPL POLB 2308/4885CTRB1 4107/4885PTPN22 1749/4885

“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.

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