Caulibugulone E

Caulibugulone E

SCHEMBL21963441

CNC1=CC(=N)c2ccncc2C1=O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ BLM P54132 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ TP53 P04637 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ CASP1 P29466 3/20 0.54
▸ CASP7 P55210 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ CDC25B P30305 1/20 0.43
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FGFR1 P11362 1/20 0.36

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
Caulibugulone A SCHEMBL2555738 0.83 MAPT (0.63) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL31112247 0.68 MAOA (0.77) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL8417659 0.68 MAOA (0.86) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL30616365 0.68 MAOA (0.86) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL16685145 0.68 MAOA (0.70) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL20618218 0.68 MAOA (0.77) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL30956639 0.64 MAOA (0.70) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL9269089 0.64 MAOA (0.77) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL15855938 0.63 MAPT (0.57) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL16879529 0.63 MAPT (0.57) MAPTBLMSMN1; SMN2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-18 — — US disclosed
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-01-21 — — US disclosed
EP-3880684-B1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNIV VIRGINIA PATENT FOUNDATION (US) 2022-11-09 — — EP disclosed
US-20220017534-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNITED STATES GOVERNMENT 2022-01-20 — — US disclosed
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNITED STATES GOVERNMENT 2021-12-23 — — US disclosed
EP-3880684-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS University of Virginia Patent Foundation (US) 2021-09-22 — — EP disclosed
EP-3880200-A2 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS University of Virginia Patent Foundation (US) 2021-09-22 — — EP disclosed
WO-2020102243-A2 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-05-22 — — WO disclosed
WO-2020102245-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-05-22 — — 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-20220017534-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRC, PTPRF MAPT 3992/4885BLM 3116/4885SMN1; SMN2 4287/4885
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors PTP4A3, PTPRO, PTPRC MAPT 3910/4885BLM 2676/4885SMN1; SMN2 4030/4885
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRO, PTPRC MAPT 3989/4885BLM 3098/4885SMN1; SMN2 4322/4885
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors PTP4A3, PTPRC, PTPRF MAPT 3992/4885BLM 3116/4885SMN1; SMN2 4287/4885

“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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