SCHEMBL20833582

SCHEMBL20833582

C[C@H](NP(=O)(Oc1ccccc1C(F)(F)F)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.43
▸ HTT P42858 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ PPARG P37231 2/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ ELANE P08246 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PRTN3 P24158 1/20 0.36

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
SCHEMBL22066300 0.90 BTN3A1 (0.39) BTN3A1HTTMRGPRX4PPARGSLC6A4
SCHEMBL22066301 0.90 MRGPRX4 (0.43) BTN3A1HTTMRGPRX4MAPTALDH1A1
SCHEMBL22065046 0.90 BTN3A1 (0.39) BTN3A1HTTMRGPRX4SLC6A4ELANE
SCHEMBL22066302 0.90 BTN3A1 (0.39) BTN3A1HTTMRGPRX4SLC6A4ELANE
SCHEMBL22066299 0.90 BTN3A1 (0.39) BTN3A1HTTMRGPRX4ELANECASP1
SCHEMBL18973552 0.89 BTN3A1 (0.52) BTN3A1MRGPRX4PPARGRXRARXRB
SCHEMBL22065039 0.88 BTN3A1 (0.51) BTN3A1MRGPRX4ELANECASP1MAPT
SCHEMBL22066276 0.87 MEN1 (0.39) BTN3A1HTTSLC6A4CASP1MAPT
SCHEMBL24793363 0.87 BTN3A1 (0.43) BTN3A1HTTMRGPRX4ELANECASP1
SCHEMBL15203143 0.86 BTN3A1 (0.42) BTN3A1MRGPRX4ELANECASP1MAPT

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 BTN3A1 4531/4885HTT 3894/4885MRGPRX4 4643/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885HTT 4051/4885MRGPRX4 4449/4885

“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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