SCHEMBL18582759

SCHEMBL18582759

Cc1cc(C(=O)O)cc(-c2ccccc2)c1I

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.51
▸ TPMT P51580 2/20 0.42
▸ KMO O15229 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ PTGER4 P35408 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NR1H4 Q96RI1 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40

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
SCHEMBL18582749 0.84 EGFR (0.51) ALDH1A1
SCHEMBL18582921 0.83 ALDH1A1 (0.47) TTRESR2L3MBTL1ALDH1A1CES2
SCHEMBL8334930 0.82 TTR (0.54) TTRTPMTKMODHODHPTGER4
SCHEMBL21942025 0.79 TTR (0.51) TTRKMODHODHPTGER4ESR2
SCHEMBL21942026 0.79 TTR (0.51) TTRKMODHODHPTGER4ESR2
SCHEMBL18582698 0.79 TTR (0.51) TTRTPMTKMODHODHALDH1A1
SCHEMBL16384671 0.79 TPMT (0.58) TTRTPMTALDH1A1
SCHEMBL6735793 0.77 TTR (0.49) TTRTPMTL3MBTL1ALDH1A1
SCHEMBL29707122 0.77 ESR2 (0.58) TTRKMOESR2L3MBTL1ALDH1A1
SCHEMBL2744081 0.77 GRIK1 (0.56) TTRKMOL3MBTL1ALDH1A1NR1H4

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
EP-3344617-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) 2018-07-11 — — EP 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
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 TTR 1075/4885TPMT 1012/4885KMO 4424/4885

“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.

Send feedback