SCHEMBL23083301

SCHEMBL23083301

C=Cc1cn(C2OC(CO)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK2 O00142 5/20 0.74
PYGM P11217 3/20 0.66
SLC28A1 O00337 1/20 0.56
SLC28A2 O43868 1/20 0.56
SLC29A1 Q99808 1/20 0.56
SLC28A3 Q9HAS3 1/20 0.56
P2RY2 P41231 2/20 0.51
DNPH1 O43598 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TK1 P04183 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL27786493 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL13597474 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL13447935 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL13413052 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL1532596 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL1627679 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL13252708 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL2587226 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL1532595 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1
SCHEMBL7571099 1.00 TK2 (0.74) TK2PYGMSLC28A1SLC28A2SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12038377-B2 Devices, compositions and methods for imaging with Raman scattering THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-07-16 US disclosed
US-20210068663-A1 DEVICES, COMPOSITIONS AND METHODS FOR IMAGING WITH RAMAN SCATTERING AND FOR SUPER-MULTIPLEX VIBRATIONAL IMAGING THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-03-11 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 (2 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-12038377-B2 Devices, compositions and methods for imaging with Raman scattering SCARB1, TTR, GLS2 TK2 2522/4885PYGM 246/4885SLC28A1 2335/4885
US-20210068663-A1 DEVICES, COMPOSITIONS AND METHODS FOR IMAGING WITH RAMAN SCATTERING AND FOR SUPER-MULTIPLEX VIBRATIONAL IMAGING VCL, TTR, VSIR TK2 3611/4885PYGM 770/4885SLC28A1 4340/4885

“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.