Caulibugulone A

Caulibugulone A

SCHEMBL2555738

CNC1=CC(=O)c2ccncc2C1=O

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.63
▸ BLM P54132 5/20 0.63
▸ TP53 P04637 3/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ CASP1 P29466 3/20 0.63
▸ CASP7 P55210 2/20 0.63
▸ MAPK1 P28482 3/20 0.57
▸ TSHR P16473 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ MAOA P21397 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ CDC25B P30305 1/20 0.46
▸ CYP1A2 P05177 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
Caulibugulone E SCHEMBL21963441 0.83 MAPT (0.54) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL8654523 0.78 MAPT (0.69) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL16879529 0.77 MAPT (0.57) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL15855938 0.77 MAPT (0.57) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL29633340 0.76 MAPT (0.61) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL4540326 0.76 MAPT (0.61) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL8654199 0.75 MAPT (0.55) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL30317599 0.75 MAPT (0.37) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL16879448 0.73 MAOA (0.52) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL11088784 0.72 CDC25B (0.61) MAPTSMN1; SMN2BLMTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011130677-A1 INHIBITORS OF CANCER STEM CELLS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-10-20 — — WO claimed
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
WO-2011130677-A1 INHIBITORS OF CANCER STEM CELLS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-10-20 — — 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 3992/4885SMN1; SMN2 4287/4885BLM 3116/4885
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors PTP4A3, PTPRO, PTPRC MAPT 3910/4885SMN1; SMN2 4030/4885BLM 2676/4885
US-20210395266-A1 IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS PTP4A3, PTPRO, PTPRC MAPT 3989/4885SMN1; SMN2 4322/4885BLM 3098/4885
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors PTP4A3, PTPRC, PTPRF MAPT 3992/4885SMN1; SMN2 4287/4885BLM 3116/4885

“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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