SCHEMBL18953048

SCHEMBL18953048

CC(NP(=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.52
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ELANE P08246 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PRTN3 P24158 1/20 0.45
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL17403978 1.00 BTN3A1 (0.52) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL18973479 1.00 BTN3A1 (0.52) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL26295789 0.91 NPC1 (0.48) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL17550480 0.90 BTN3A1 (0.44) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL12621314 0.89 NPC1 (0.46) BTN3A1NPC1RAB9AELANEHTR2A
SCHEMBL30089933 0.89 BTN3A1 (0.50) BTN3A1NPC1RAB9AALDH1A1TP53
SCHEMBL10149592 0.89 BTN3A1 (0.50) BTN3A1NPC1RAB9AALDH1A1TP53
SCHEMBL28854863 0.89 BTN3A1 (0.50) BTN3A1NPC1RAB9AALDH1A1TP53
SCHEMBL23818599 0.88 NPC1 (0.48) BTN3A1NPC1RAB9AHTR2AALDH1A1
SCHEMBL18973549 0.88 BTN3A1 (0.60) BTN3A1ELANEALDH1A1TP53MEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171487-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2025-05-29 — — US disclosed
US-12054511-B2 Synthesis of phosphate derivatives NuCana plc (GB) 2024-08-06 — — US disclosed
US-11897913-B2 Synthesis of 3′-deoxyadenosine-5′-O-[phenyl(benzyloxy-L-alaninyl)]phosphate (NUC-738) NuCana plc (GB) 2024-02-13 — — US disclosed
US-11603382-B2 Diastereoselective synthesis of phosphate derivatives NuCana plc (GB) 2023-03-14 — — US disclosed
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2022-12-22 — — US disclosed
CN-115175735-A Antiviral compounds 吉利德科学公司 2022-10-11 — — CN disclosed
CN-115087659-A Antiviral compounds 吉利德科学公司 2022-09-20 — — CN disclosed
US-11414452-B2 Synthesis of phosphate derivatives NuCana plc (GB) 2022-08-16 — — US disclosed
EP-4011896-A1 DIASTEREOSELECTIVE SYNTHESIS OF (SP)-GEMCITABINE-[PHENYL(BENZOXY-L-ALANINYL)]PHOSPHATE NUC-1031 NuCana plc (GB) 2022-06-15 — — EP disclosed
CN-110590839-B Levatinib derivative and preparation method and application thereof 四川海思科制药有限公司 2022-04-05 — — CN disclosed
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2020-06-11 — — US disclosed
EP-3638685-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-0-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) NuCana plc (GB) 2020-04-22 — — EP disclosed
EP-3638684-A2 SYNTHESIS OF SUBSTANTIALLY DIASTEREOMERICALLY PURE PHOSPHATE PROTIDES NuCana plc (GB) 2020-04-22 — — EP disclosed
CN-110590839-A Levatinib derivative and preparation method and application thereof 四川海思科制药有限公司 2019-12-20 — — CN disclosed
WO-2018229493-A2 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2018-12-20 — — WO disclosed
WO-2018229495-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-0-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) NuCana plc (GB) 2018-12-20 — — WO disclosed
US-20180362571-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2018-12-20 — — US disclosed
EP-3386998-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES AND OF THE GEMCITABINE PRODRUG NUC-1031 NuCana plc (GB) 2018-10-17 — — EP disclosed
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP 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 (8 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-11414452-B2 Synthesis of phosphate derivatives PNP, NTPCR, TYMP BTN3A1 2937/4885NPC1 1590/4885RAB9A 2575/4885
US-11603382-B2 Diastereoselective synthesis of phosphate derivatives TYMP, PNP, DPYD BTN3A1 4228/4885NPC1 3881/4885RAB9A 1173/4885
US-20180362571-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES TYMP, PNP, DPYD BTN3A1 4678/4885NPC1 3736/4885RAB9A 900/4885
US-12054511-B2 Synthesis of phosphate derivatives PNP, NTPCR, TYMP BTN3A1 2948/4885NPC1 1559/4885RAB9A 2528/4885
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP BTN3A1 4531/4885NPC1 2136/4885RAB9A 2825/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885NPC1 1559/4885RAB9A 2528/4885
US-20250171487-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885NPC1 1559/4885RAB9A 2528/4885
US-11897913-B2 Synthesis of 3′-deoxyadenosine-5′-O-[phenyl(benzyloxy-L-alaninyl)]phosphate (NUC-738) PNP, MTAP, NT5C2 BTN3A1 4003/4885NPC1 1099/4885RAB9A 3570/4885

“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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