SCHEMBL18973482

SCHEMBL18973482

C[C@H](NP(=O)(Oc1ccccc1)Oc1ccc(Cl)cc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.49
▸ ELANE P08246 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PRTN3 P24158 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL22065160 0.90 BTN3A1 (0.48) BTN3A1ELANETP53L3MBTL1MEN1
SCHEMBL22065158 0.90 BTN3A1 (0.48) BTN3A1ELANETP53PRTN3ALDH1A1
SCHEMBL22066289 0.89 BTN3A1 (0.52) BTN3A1ELANETP53MEN1KMT2A
SCHEMBL22065045 0.88 POLB (0.42) BTN3A1ELANETP53LMNAL3MBTL1
SCHEMBL18973471 0.88 TP53 (0.56) BTN3A1ELANETP53MEN1KMT2A
SCHEMBL22874162 0.87 BTN3A1 (0.51) BTN3A1ELANETP53LMNANPC1
SCHEMBL17725089 0.87 NPC1 (0.45) ELANETP53LMNAL3MBTL1MEN1
SCHEMBL22065782 0.87 BTN3A1 (0.46) BTN3A1ELANETP53MEN1KMT2A
SCHEMBL22065040 0.87 BTN3A1 (0.48) BTN3A1ELANETP53L3MBTL1MEN1
SCHEMBL22065784 0.87 BTN3A1 (0.46) BTN3A1ELANETP53L3MBTL1MEN1

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 BTN3A1 4678/4885ELANE 4526/4885TP53 658/4885
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP BTN3A1 4531/4885ELANE 4653/4885TP53 100/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885ELANE 3870/4885TP53 926/4885
US-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES TYMP, PNP, DPYD BTN3A1 4228/4885ELANE 4731/4885TP53 522/4885
US-20200181190-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-O-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) PNP, NT5C2, DUT BTN3A1 3995/4885ELANE 3725/4885TP53 755/4885

“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.

Send feedback