SCHEMBL18973571

SCHEMBL18973571

C[C@H](NP(=O)(Oc1ccccc1)Oc1ccccc1F)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 6/20 0.52
▸ ELANE P08246 2/20 0.48
▸ PRTN3 P24158 2/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ KLK1 P06870 1/20 0.42
▸ LMNA P02545 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
▸ CYP2C19 P33261 1/20 0.41
▸ TP53 P04637 1/20 0.40

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
SCHEMBL18973558 0.91 BTN3A1 (0.49) BTN3A1ELANEPRTN3NPC1KLK1
SCHEMBL18973567 0.90 BTN3A1 (0.55) BTN3A1ELANEPRTN3HTTNPSR1
SCHEMBL18973549 0.89 BTN3A1 (0.60) BTN3A1ELANEPRTN3HTTNPSR1
SCHEMBL24505391 0.89 BTN3A1 (0.60) BTN3A1ELANEPRTN3HTTNPSR1
SCHEMBL18973572 0.89 BTN3A1 (0.52) BTN3A1ELANEPRTN3NPC1HTT
SCHEMBL24793363 0.88 BTN3A1 (0.43) BTN3A1ELANEPRTN3NPC1XBP1
SCHEMBL24012183 0.87 BTN3A1 (0.49) BTN3A1ELANEPRTN3KLK1TP53
SCHEMBL18973684 0.86 BTN3A1 (0.52) BTN3A1ELANEPRTN3HTTKLK1
SCHEMBL22066289 0.86 BTN3A1 (0.52) BTN3A1ELANEPRTN3HTTKLK1
SCHEMBL22065167 0.86 BTN3A1 (0.52) BTN3A1ELANEPRTN3HTTKLK1

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 4 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
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 (3 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-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

“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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