SCHEMBL21561924

SCHEMBL21561924

CCOC(=O)Cc1ccccc1OCc1cc(I)c2oc(/C=N\[S@+]([O-])C(C)(C)C)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.35
▸ CFD P00746 14/20 0.34
▸ F11 P03951 8/20 0.32
▸ KLKB1 P03952 5/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TPSB2 P20231 4/20 0.32
▸ ATM Q13315 1/20 0.31
▸ PLG P00747 2/20 0.31
▸ PLAU P00749 2/20 0.31
▸ F7 P08709 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ F9 P00740 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PLAT P00750 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ SLC18A2 Q05940 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PTK2 Q05397 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
SCHEMBL29634053 1.00 TBXAS1 (0.35) TBXAS1CFDF11KLKB1USP2
SCHEMBL25883249 1.00 TBXAS1 (0.35) TBXAS1CFDF11KLKB1USP2
SCHEMBL23241821 1.00 TBXAS1 (0.35) TBXAS1CFDF11KLKB1USP2
SCHEMBL29095225 1.00 TBXAS1 (0.35) TBXAS1CFDF11KLKB1USP2
SCHEMBL21545082 0.90 CFD (0.41) CFDF11KLKB1TPSB2PLG
SCHEMBL28506712 0.90 CFD (0.41) CFDF11KLKB1TPSB2PLG
SCHEMBL21545083 0.90 CFD (0.41) CFDF11KLKB1TPSB2PLG
SCHEMBL25882374 0.86 CFD (0.40) CFDF11KLKB1TPSB2PLG
SCHEMBL28943915 0.85 CFD (0.36) TBXAS1CFDF11KLKB1USP2
SCHEMBL21438446 0.84 TBXAS1 (0.41) TBXAS1CFDF11KLKB1USP2

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-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
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
US-20190345135-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-11-14 — — US 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 (5 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 75/4885CFD 17/4885F11 216/4885
US-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP TBXAS1 75/4885CFD 17/4885F11 216/4885
US-20190345135-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP TBXAS1 75/4885CFD 17/4885F11 216/4885
US-11370774-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP TBXAS1 75/4885CFD 17/4885F11 216/4885
US-20210221786-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP TBXAS1 75/4885CFD 17/4885F11 216/4885

“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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