SCHEMBL21115872

SCHEMBL21115872

COC(=O)c1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TK2 O00142 1/20 0.63
ALOX12 P18054 1/20 0.61
ADRA1A P35348 1/20 0.61
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL22560281 1.00 TK1 (0.65) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL21071421 1.00 TK1 (0.65) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL5982324 1.00 TK1 (0.65) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL21115874 1.00 TK1 (0.65) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL5982320 1.00 TK1 (0.65) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL5983081 0.90 TK1 (0.57) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL5982403 0.89 TK1 (0.64) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL5983317 0.89 TK1 (0.64) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9780661 0.87 TK1 (0.69) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL5983020 0.87 TK1 (0.69) TK1LMNASMN1; SMN2TK2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10866219-B2 Method for detecting trifluridine- and/or tipiracil-related substance TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-15 US disclosed
EP-3736568-A1 DETECTION METHOD FOR ANALOG DERIVED FROM TRIFLURIDINE Taiho Pharmaceutical Co., Ltd. (JP) 2020-11-11 EP disclosed
EP-3730935-A1 METHOD FOR DETECTING TRIFLURIDINE- AND/OR TIPIRACIL-DERIVED ANALOGS Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-28 EP disclosed
US-10816517-B2 Method for detecting trifluridine-related substance by high-performance liquid chromatography TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-10-27 US disclosed
US-20190212309-A1 METHOD FOR DETECTING TRIFLURIDINE-RELATED SUBSTANCE BY HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-07-11 US disclosed
US-20190195840-A1 METHOD FOR DETECTING TRIFLURIDINE- AND/OR TIPIRACIL-RELATED SUBSTANCE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-06-27 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-20190195840-A1 METHOD FOR DETECTING TRIFLURIDINE- AND/OR TIPIRACIL-RELATED SUBSTANCE SLC6A5, TPMT, SLC1A5 TK1 592/4885LMNA 4664/4885SMN1; SMN2 3186/4885
US-10866219-B2 Method for detecting trifluridine- and/or tipiracil-related substance SLC6A5, TPMT, SLC1A5 TK1 592/4885LMNA 4664/4885SMN1; SMN2 3186/4885

“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.