SCHEMBL29419645

SCHEMBL29419645

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@H]1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 3/20 0.82
HINT1 P49773 1/20 0.66
P2RY1 P47900 5/20 0.58
P2RY2 P41231 3/20 0.58
SRC P12931 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
P2RX1 P51575 1/20 0.58
P2RX3 P56373 1/20 0.58
P2RX4 Q99571 1/20 0.58
P2RX2 Q9UBL9 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TRPM2 O94759 2/20 0.56
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
DNPH1 O43598 1/20 0.56
PRKAB2 O43741 1/20 0.56
LDHA P00338 1/20 0.56
ADRB2 P07550 1/20 0.56
FBP1 P09467 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL29652603 1.00 HLCS (0.82) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204782 1.00 HLCS (0.82) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230061 1.00 HLCS (0.82) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204795 0.97 HLCS (0.79) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230477 0.97 HLCS (0.79) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230472 0.97 HLCS (0.79) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204798 0.97 HLCS (0.79) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230032 0.95 HLCS (0.74) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204790 0.95 HLCS (0.74) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230316 0.92 HLCS (0.71) HLCSHINT1P2RY1P2RY2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025121411-A1 ALTERED PROXIMITY-DEPENDENT MODIFICATION ENZYME 株式会社セルフリーサイエンス 2025-06-12 WO disclosed
EP-4533102-A2 SYSTEMS, COMPOSITIONS AND METHODS FOR IDENTIFYING E3 LIGASE SUBSTRATES BY UBIQUITIN BIOTINYLATION The Broad Institute, Inc. (US) 2025-04-09 EP disclosed
US-20250084453-A1 SYSTEMS, COMPOSITIONS AND METHODS FOR IDENTIFYING E3 LIGASE SUBSTRATES BY UBIQUITIN BIOTINYLATION THE BROAD INSTITUTE, INC. (US) 2025-03-13 US disclosed
WO-2025044353-A1 ADENO-ASSOCIATED VIRUS ENGINEERED WITH TARGETING GENE EDITING ENZYME AND PHARMACEUTICAL COMPOSITION THEREOF 北京昌平实验室 2025-03-06 WO disclosed
US-20240125806-A1 PHOSPHATIDYLSERINE BINDING AGENTS FOR THE DETECTION AND DEPLETION OF PHOSPHATIDYLSERINE POSITIVE CELLS BioLegend, Inc. (US) 2024-04-18 US disclosed
EP-4347860-A1 E3 LIGASE FUSION PROTEINS FOR PROXIMITY DETECTION Monte Rosa Therapeutics, Inc. (US) 2024-04-10 EP disclosed
EP-4326307-A1 PHOSPHATIDYLSERINE BINDING AGENTS FOR THE DETECTION AND DEPLETION OF PHOSPHATIDYLSERINE POSITIVE CELLS Biolegend, Inc. (US) 2024-02-28 EP disclosed
WO-2023235313-A2 SYSTEMS, COMPOSITIONS AND METHODS FOR IDENTIFYING E3 LIGASE SUBSTRATES BY UBIQUITIN BIOTINYLATION THE BROAD INSTITUTE, INC. (US) 2023-12-07 WO disclosed
CN-114149980-B Novel protein biotin ligase and proximity marking system PhastID based on same 中山大学 2023-10-13 CN disclosed
US-11542549-B2 Labeled enzyme compositions, methods and systems Life Technologies Corporation (US) 2023-01-03 US disclosed
WO-2022256623-A1 E3 LIGASE FUSION PROTEINS FOR PROXIMITY DETECTION MONTE ROSA THERAPEUTICS, INC. (US) 2022-12-08 WO disclosed
WO-2022225796-A1 PHOSPHATIDYLSERINE BINDING AGENTS FOR THE DETECTION AND DEPLETION OF PHOSPHATIDYLSERINE POSITIVE CELLS BioLegend, Inc. (US) 2022-10-27 WO disclosed
CN-114728970-A Optical proximity analysis of protein-protein interactions in cells 芝加哥大学 2022-07-08 CN disclosed
CN-114149980-A Novel protein biotin ligase and proximity labeling system PhastID based on same 中山大学 2022-03-08 CN 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-11542549-B2 Labeled enzyme compositions, methods and systems RNGTT, DNTT, POLB HLCS 104/4885HINT1 673/4885P2RY1 3665/4885

“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.