SCHEMBL21455148

SCHEMBL21455148

CCOC(=O)Cc1ccccc1O/C(C)=C/C(B1OC(C)(C)C(C)(C)O1)=C(\C)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.37
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC1A5 Q15758 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL25895072 1.00 TBXAS1 (0.37) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL21455441 0.93 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL21455145 0.90 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL25894394 0.90 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL23656672 0.90 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL23656643 0.89 TBXAS1 (0.34) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL25911922 0.86 EGFR (0.32) AKR1C3AKR1C2PKMEGFR
SCHEMBL21455527 0.84 TBXAS1 (0.35) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL24199896 0.84 TBXAS1 (0.34) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL21455391 0.83 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2

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-20230072867-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-09 — — US disclosed
US-11370774-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2022-06-28 — — US disclosed
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
US-20210221786-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-22 — — US disclosed
US-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — 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 (4 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-20230072867-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP TBXAS1 75/4885AKR1C3 180/4885AKR1C2 1442/4885
US-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP TBXAS1 75/4885AKR1C3 180/4885AKR1C2 1442/4885
US-11370774-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP TBXAS1 75/4885AKR1C3 180/4885AKR1C2 1442/4885
US-20210221786-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP TBXAS1 75/4885AKR1C3 180/4885AKR1C2 1442/4885

“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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