SCHEMBL1786739

SCHEMBL1786739

CCON[C@@H](C)C(=O)OP(=O)(Cl)Oc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
OGG1 O15527 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PGR P06401 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL15708299 0.91 ALDH1A1 (0.38) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL12477823 0.89 CNR2 (0.39) BTN3A1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL1027922 0.88 ALDH1A1 (0.40) BTN3A1ALDH1A1HPGDOGG1GAA
SCHEMBL3977464 0.88 ALDH1A1 (0.40) BTN3A1ALDH1A1HPGDOGG1GAA
SCHEMBL1028181 0.87 BTN3A1 (0.40) BTN3A1ALDH1A1HPGDOGG1L3MBTL1
SCHEMBL15487036 0.86 ALDH1A1 (0.39) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL1786794 0.84 ALDH1A1 (0.40) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL15720921 0.84 CYP2D6 (0.46) BTN3A1TSHRALDH1A1HPGDOGG1
SCHEMBL722000 0.83 KMT2A (0.40) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL18192797 0.82 PPARG (0.41) BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022390-B2 Phosphoramidate derivatives of 5-fluoro-2′-deoxyuridine for use in the treatment of cancer NuCana plc (GB) 2018-07-17 US disclosed
US-9221866-B2 Phosphoramidate derivatives of 5-fluoro-2′-deoxyuridine for use in the treatment of cancer NUCANA BIOMED LIMITED (GB) 2015-12-29 US disclosed
US-20150183817-A1 PHOSPHORAMIDATE DERIVATIVES OF 5-FLUORO-2'-DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER NuCana plc (GB) 2015-07-02 US disclosed
US-8933053-B2 Phosphoramidate derivatives of 5-fluoro-2′-deoxyuridine for use in the treatment of cancer NUCANA BIOMED LIMITED (GB) 2015-01-13 US disclosed
US-20140057866-A1 PHOSPHORAMIDATE DERIVATIVES OF 5 - FLUORO - 2` - DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER NuCana plc (GB) 2014-02-27 US disclosed
US-8658616-B2 Nucleoside aryl phosphoramidates and their use as anti-viral agents for the treatment of hepatitis C virus UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2014-02-25 US disclosed
US-20110124592-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITUS C VIRUS K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2011-05-26 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 (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-10022390-B2 Phosphoramidate derivatives of 5-fluoro-2′-deoxyuridine for use in the treatment of cancer SLC29A2, SLC29A1, TYMP BTN3A1 4692/4885TSHR 3131/4885ALDH1A1 2524/4885
US-20110124592-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITUS C VIRUS PNP, NSUN2, MTAP BTN3A1 2732/4885TSHR 4660/4885ALDH1A1 1292/4885
US-20140057866-A1 PHOSPHORAMIDATE DERIVATIVES OF 5 - FLUORO - 2` - DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER SLC29A2, SLC29A1, TYMP BTN3A1 4708/4885TSHR 3168/4885ALDH1A1 2381/4885
US-20150183817-A1 PHOSPHORAMIDATE DERIVATIVES OF 5-FLUORO-2'-DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER SLC29A2, SLC29A1, TYMP BTN3A1 4691/4885TSHR 3160/4885ALDH1A1 2409/4885

“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.