SCHEMBL18582905

SCHEMBL18582905

C[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ P4HB P07237 1/20 0.33
▸ AAK1 Q2M2I8 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ RORC P51449 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 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
SCHEMBL18582906 1.00 LPL (0.39) LPLLIPGCRHBPCRHR2ALDH1A1
SCHEMBL25280458 0.89 LPL (0.42) LPLLIPGALDH1A1TDP1AAK1
SCHEMBL30566094 0.89 LPL (0.42) LPLLIPGALDH1A1TDP1AAK1
SCHEMBL25250508 0.89 LPL (0.42) LPLLIPGALDH1A1TDP1AAK1
SCHEMBL15283473 0.86 PDK1 (0.40) LPLLIPGALDH1A1TDP1AAK1
SCHEMBL17411095 0.82 LPL (0.36) LPLLIPGALDH1A1TDP1AAK1
SCHEMBL18582781 0.81 HTR6 (0.48) LPLLIPGALDH1A1TDP1P4HB
SCHEMBL3033971 0.79 ALDH1A1 (0.45) LPLLIPGALDH1A1TDP1MAPT
SCHEMBL30110762 0.78 LPL (0.44) LPLLIPGP4HBAAK1RORC
SCHEMBL31690752 0.78 DGAT1 (0.47) LPLLIPGTDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790207-B2 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-10-17 — — US disclosed
US-9790207-B2 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-10-17 — — US disclosed
US-9790207-B2 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-10-17 — — US disclosed
US-20170066746-A1 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-03-09 — — US disclosed
US-20170066746-A1 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-03-09 — — US disclosed
US-20170066746-A1 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-03-09 — — US disclosed
WO-2017039791-A1 PAN-GENOMIC INHIBITORS OF NS5A PROTEIN ENCODED BY HCV, PHARMACEUTICAL COMPOSITIONS, INTERMEDIATES FOR INHIBITOR SYNTHESIS, AND THEIR SYNTHESIS AND APPLICATION METHODS. ALLA CHEM, LLC (US) 2017-03-09 — — 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-20170066746-A1 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods POLR2A, GTF3C1, SSU72 LPL 1689/4885LIPG 3406/4885CRHBP 2016/4885

“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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