SCHEMBL22065166

SCHEMBL22065166

C[C@H](NP(=O)(Oc1ccc(I)cc1)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 2/20 0.47
▸ ELANE P08246 2/20 0.42
▸ PRTN3 P24158 2/20 0.40
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KLK1 P06870 1/20 0.37
▸ PTPN1 P18031 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
SCHEMBL22065039 0.94 BTN3A1 (0.51) BTN3A1ELANEPRTN3CARM1PRMT6
SCHEMBL22066280 0.91 BTN3A1 (0.47) BTN3A1ELANEPRTN3CARM1PRMT6
SCHEMBL22065043 0.90 BTN3A1 (0.47) BTN3A1ELANEPRTN3CARM1PRMT6
SCHEMBL20833694 0.89 BTN3A1 (0.43) BTN3A1ELANEPRTN3CASP1ALDH1A1
SCHEMBL18973564 0.89 BTN3A1 (0.55) BTN3A1ELANEPRTN3KLK1
SCHEMBL22065164 0.89 BTN3A1 (0.40) BTN3A1ELANEPRTN3CASP1ALDH1A1
SCHEMBL22065159 0.88 BTN3A1 (0.45) BTN3A1ELANEPRTN3CARM1PRMT6
SCHEMBL22065165 0.87 BTN3A1 (0.42) BTN3A1ELANEPRTN3CASP1ALDH1A1
SCHEMBL22065801 0.87 BTN3A1 (0.42) BTN3A1ELANEPRTN3CASP1ALDH1A1
SCHEMBL22065648 0.87 BTN3A1 (0.39) BTN3A1ELANEPRTN3CASP1ALDH1A1

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 4653/4885PRTN3 1013/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885ELANE 3870/4885PRTN3 724/4885

“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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