SCHEMBL18973556

SCHEMBL18973556

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 16/20 0.51
▸ BTN3A1 O00481 1/20 0.48
▸ FFAR1 O14842 1/20 0.45
▸ ELANE P08246 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
SCHEMBL20833581 0.89 MRGPRX4 (0.49) MRGPRX4
SCHEMBL18973700 0.89 BTN3A1 (0.48) MRGPRX4BTN3A1ELANE
SCHEMBL18973553 0.89 BTN3A1 (0.48) MRGPRX4BTN3A1ELANE
SCHEMBL18973482 0.87 BTN3A1 (0.49) MRGPRX4BTN3A1ELANE
SCHEMBL22081623 0.85 BTN3A1 (0.46) MRGPRX4BTN3A1
SCHEMBL22065158 0.85 BTN3A1 (0.48) BTN3A1ELANE
SCHEMBL22065040 0.85 BTN3A1 (0.48) MRGPRX4BTN3A1ELANE
SCHEMBL22066289 0.85 BTN3A1 (0.52) BTN3A1ELANE
SCHEMBL22065782 0.83 BTN3A1 (0.46) MRGPRX4BTN3A1FFAR1ELANE
SCHEMBL18973566 0.82 ALDH1A1 (0.46) BTN3A1ELANE

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 MRGPRX4 3782/4885BTN3A1 4678/4885FFAR1 3192/4885
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP MRGPRX4 4643/4885BTN3A1 4531/4885FFAR1 4598/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP MRGPRX4 4449/4885BTN3A1 2948/4885FFAR1 3028/4885
US-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES TYMP, PNP, DPYD MRGPRX4 4020/4885BTN3A1 4228/4885FFAR1 3570/4885
US-20200181190-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-O-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) PNP, NT5C2, DUT MRGPRX4 4099/4885BTN3A1 3995/4885FFAR1 3174/4885

“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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