SCHEMBL459237

SCHEMBL459237

O=P(O)(O)OP(=O)(O)OCc1ncccn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
BTN3A1 O00481 4/20 0.38
MVD P53602 1/20 0.38
P2RY2 P41231 3/20 0.37
FDPS P14324 1/20 0.35
P2RY4 P51582 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
SCHEMBL459068 0.84 FDPS (0.39) TSHRFDPS
SCHEMBL2695544 0.77 MVD (0.31) BTN3A1MVDP2RY2
Pyrophosphoric Acid SCHEMBL459236 0.75 FDPS (0.42) BTN3A1FDPS
SCHEMBL31429819 0.73 FDPS (0.37) FDPS
(Pyridin-4-Yl)-Methyl-Diphosphate SCHEMBL1652034 0.73 TSHR (0.52) TSHRBTN3A1FDPSFNTAFNTB
SCHEMBL1110552 0.72 TSHR (0.78) TSHRBTN3A1FNTAFNTB
SCHEMBL22235085 0.71 FDPS (0.50) TSHRBTN3A1FDPS
SCHEMBL8905757 0.69 GAA (0.39) FDPS
SCHEMBL17981684 0.68 FDPS (0.33) P2RY2FDPS
Pyrophosphoric Acid SCHEMBL28298467 0.66 HSP90AA1 (0.55) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022411-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE BIOSYNTIA APS (DK) 2026-01-22 US disclosed
EP-4555076-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE Biosyntia ApS (DK) 2025-05-21 EP disclosed
US-20240368659-A1 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS BIOSYNTIA APS (DK) 2024-11-07 US disclosed
EP-4370653-A2 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS Biosyntia ApS (DK) 2024-05-22 EP disclosed
WO-2024013212-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE BIOSYNTIA APS (DK) 2024-01-18 WO disclosed
WO-2023285585-A2 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS BIOSYNTIA APS (DK) 2023-01-19 WO disclosed
US-9057063-B2 Genetically modified biological cells O'Keefe, Theresa (US) 2015-06-16 US disclosed
US-20130198900-A1 \"THIAMINE PYROPHOSPHATE (TPP) RIBOSWITCH MUTANTS PRODUCING VITAMIN B1 ENRICHED FOOD AND FEED CROPS\ BEN-GURION UNIVERSITY OF THE NEGEV (IL) 2013-08-01 US disclosed
EP-2614150-A1 THIAMINE PYROPHOSPHATE (TPP) RIBOSWITCH MUTANTS PRODUCING VITAMIN B1 ENRICHED FOOD AND FEED CROPS Yeda Research and Development Co. Ltd. (IL) 2013-07-17 EP disclosed
WO-2012032522-A1 THIAMINE PYROPHOSPHATE (TPP) RIBOSWITCH MUTANTS PRODUCING VITAMIN B1 ENRICHED FOOD AND FEED CROPS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-03-15 WO disclosed
US-7869957-B2 Methods and systems to identify operational reaction pathways THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-11 US disclosed
US-20100304432-A1 GENETICALLY MODIFIED BIOLOGICAL CELLS O'KEEFE, THERESA 2010-12-02 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 (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-20260022411-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE AHCY, SHMT1, MTHFD1 TSHR 1996/4885BTN3A1 3190/4885MVD 222/4885

“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.