SCHEMBL22065044

SCHEMBL22065044

C[C@H](NP(=O)(Oc1ccccc1Cl)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.43
▸ ELANE P08246 2/20 0.42
▸ CASP1 P29466 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PRTN3 P24158 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL24794260 0.94 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTGAA
SCHEMBL22065045 0.91 POLB (0.42) BTN3A1ELANEMAPTGAAALDH1A1
SCHEMBL22065039 0.91 BTN3A1 (0.51) BTN3A1ELANECASP1MAPTGAA
SCHEMBL24794259 0.90 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTGAA
SCHEMBL22065157 0.90 BTN3A1 (0.39) BTN3A1ELANECASP1MAPTGAA
SCHEMBL22065648 0.90 BTN3A1 (0.39) BTN3A1ELANECASP1MAPTGAA
SCHEMBL22065043 0.89 BTN3A1 (0.47) BTN3A1ELANECASP1MAPTGAA
SCHEMBL15203143 0.89 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTGAA
SCHEMBL22066289 0.88 BTN3A1 (0.52) BTN3A1ELANEGAAPOLBHPGD
SCHEMBL24793363 0.88 BTN3A1 (0.43) BTN3A1ELANECASP1MAPTGAA

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 2 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

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 4531/4885ELANE 4653/4885CASP1 4061/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885ELANE 3870/4885CASP1 3460/4885

“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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