SCHEMBL18973471

SCHEMBL18973471

C[C@H](NP(=O)(Oc1ccccc1)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.56
▸ BTN3A1 O00481 3/20 0.55
▸ ELANE P08246 2/20 0.51
▸ PRTN3 P24158 2/20 0.48
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KLK1 P06870 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPY5R Q15761 1/20 0.42

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
SCHEMBL16576028 0.94 BTN3A1 (0.50) TP53BTN3A1ELANEPRTN3NPC1
SCHEMBL16576035 0.94 BTN3A1 (0.50) TP53BTN3A1ELANEPRTN3NPC1
SCHEMBL16576019 0.94 BTN3A1 (0.50) TP53BTN3A1ELANEPRTN3NPC1
SCHEMBL24505391 0.92 BTN3A1 (0.60) TP53BTN3A1ELANEPRTN3KLK1
SCHEMBL18973549 0.92 BTN3A1 (0.60) TP53BTN3A1ELANEPRTN3KLK1
SCHEMBL19894592 0.92 BTN3A1 (0.49) TP53BTN3A1ELANEPRTN3NPC1
SCHEMBL15593268 0.92 BTN3A1 (0.49) TP53BTN3A1ELANEPRTN3NPC1
SCHEMBL28918364 0.89 TP53 (0.52) TP53BTN3A1ELANEPRTN3NPC1
SCHEMBL12621325 0.89 TP53 (0.52) TP53BTN3A1ELANEPRTN3NPC1
SCHEMBL22065043 0.89 BTN3A1 (0.47) TP53BTN3A1ELANEPRTN3NPC1

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-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2022-12-22 — — US disclosed
US-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES LAURUS LABS PRIVATE LTD (IN) 2021-01-14 — — US disclosed
US-10774104-B2 Diastereoselective synthesis of phosphate derivatives LAURUS LABS PRIVATE LTD (IN) 2020-09-15 — — US disclosed
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2020-06-11 — — US disclosed
US-20200181190-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-O-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) NuCana plc (GB) 2020-06-11 — — US disclosed
WO-2017098252-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES AND OF THE GEMCITABINE PRODRUG NUC-1031 NUCANA BIOMED LIMITED (GB) 2017-06-15 — — WO 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 (5 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-10774104-B2 Diastereoselective synthesis of phosphate derivatives TYMP, PNP, DPYD TP53 658/4885BTN3A1 4678/4885ELANE 4526/4885
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP TP53 100/4885BTN3A1 4531/4885ELANE 4653/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP TP53 926/4885BTN3A1 2948/4885ELANE 3870/4885
US-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES TYMP, PNP, DPYD TP53 522/4885BTN3A1 4228/4885ELANE 4731/4885
US-20200181190-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-O-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) PNP, NT5C2, DUT TP53 755/4885BTN3A1 3995/4885ELANE 3725/4885

“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.

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