SCHEMBL18973687

SCHEMBL18973687

C[C@H](NP(=O)(Oc1ccccc1)Oc1ccc(I)cc1C#N)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 2/20 0.46
▸ ELANE P08246 2/20 0.41
▸ PRTN3 P24158 2/20 0.40
▸ MAOB P27338 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL22066006 0.89 BTN3A1 (0.38) BTN3A1ELANECTSLCTSBCTSS
SCHEMBL22065784 0.89 BTN3A1 (0.46) BTN3A1ELANEPRTN3MAOBCTSL
SCHEMBL22066288 0.88 BTN3A1 (0.50) BTN3A1ELANEPRTN3CTSLCTSB
SCHEMBL18973570 0.87 BTN3A1 (0.49) BTN3A1ELANEPRTN3KLK1
SCHEMBL18973688 0.85 BTN3A1 (0.44) BTN3A1ELANEPRTN3CTSLGAA
SCHEMBL22065158 0.85 BTN3A1 (0.48) BTN3A1ELANEPRTN3KLK1KDM4E
SCHEMBL18973565 0.85 BTN3A1 (0.48) BTN3A1ELANEPRTN3KLK1
SCHEMBL18973562 0.85 BTN3A1 (0.46) BTN3A1ELANEPRTN3CTSLCTSB
SCHEMBL18973564 0.84 BTN3A1 (0.55) BTN3A1ELANEPRTN3KLK1
SCHEMBL22065038 0.83 BTN3A1 (0.48) BTN3A1ELANEPRTN3KLK1

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 4526/4885PRTN3 1874/4885
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP BTN3A1 4531/4885ELANE 4653/4885PRTN3 1013/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885ELANE 3870/4885PRTN3 724/4885
US-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES TYMP, PNP, DPYD BTN3A1 4228/4885ELANE 4731/4885PRTN3 2082/4885
US-20200181190-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-O-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) PNP, NT5C2, DUT BTN3A1 3995/4885ELANE 3725/4885PRTN3 644/4885

“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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