SCHEMBL20833580

SCHEMBL20833580

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ELANE P08246 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTSL P07711 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ PRTN3 P24158 1/20 0.36
▸ MRGPRX4 Q96LA9 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
SCHEMBL22065052 0.90 BTN3A1 (0.38) BTN3A1MAPK1SMN1; SMN2ALDH1A1MAPK14
SCHEMBL22066006 0.90 BTN3A1 (0.38) BTN3A1ALDH1A1MAPTELANECASP1
SCHEMBL22066004 0.90 POLB (0.39) BTN3A1SMN1; SMN2ALDH1A1MAPTCASP1
SCHEMBL22066002 0.90 BTN3A1 (0.38) BTN3A1MAPK1SMN1; SMN2ALDH1A1MAPK14
SCHEMBL22066288 0.89 BTN3A1 (0.50) BTN3A1MAPK1SMN1; SMN2ALDH1A1MAPK14
SCHEMBL22065039 0.88 BTN3A1 (0.51) BTN3A1ALDH1A1MAPTELANECASP1
SCHEMBL22065159 0.88 BTN3A1 (0.45) BTN3A1MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15203143 0.86 BTN3A1 (0.42) BTN3A1SMN1; SMN2ALDH1A1MAPTELANE
SCHEMBL24793363 0.85 BTN3A1 (0.43) BTN3A1MAPK1ALDH1A1MAPTELANE
SCHEMBL22065044 0.85 BTN3A1 (0.43) BTN3A1SMN1; SMN2ALDH1A1MAPTELANE

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 4531/4885MAPK1 2449/4885SMN1; SMN2 4594/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885MAPK1 3085/4885SMN1; SMN2 3718/4885

“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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