SCHEMBL20833581

SCHEMBL20833581

C[C@H](NP(=O)(Oc1ccc(C(F)(F)F)cc1Cl)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 19/20 0.49
▸ LRRK2 Q5S007 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
SCHEMBL20833579 0.90 TACR1 (0.40) MRGPRX4LRRK2
SCHEMBL22066298 0.90 TACR1 (0.42) MRGPRX4LRRK2
SCHEMBL18973556 0.89 MRGPRX4 (0.51) MRGPRX4
SCHEMBL22065045 0.89 POLB (0.42) MRGPRX4
SCHEMBL22065044 0.87 BTN3A1 (0.43) MRGPRX4
SCHEMBL22065648 0.87 BTN3A1 (0.39) MRGPRX4
SCHEMBL22066301 0.86 MRGPRX4 (0.43) MRGPRX4LRRK2
SCHEMBL20833582 0.85 BTN3A1 (0.43) MRGPRX4
SCHEMBL22066302 0.85 BTN3A1 (0.39) MRGPRX4
SCHEMBL22066001 0.85 MRGPRX4 (0.43) MRGPRX4

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 3 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-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2020-06-11 — — US disclosed
WO-2019053476-A1 FLOXURIDINE SYNTHESIS NuCana plc (GB) 2019-03-21 — — 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 (2 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-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP MRGPRX4 4643/4885LRRK2 3683/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP MRGPRX4 4449/4885LRRK2 4654/4885

“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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