SCHEMBL22065159

SCHEMBL22065159

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.45
▸ ELANE P08246 2/20 0.40
▸ MMP3 P08254 2/20 0.39
▸ PRTN3 P24158 2/20 0.39
▸ MAOB P27338 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ GPR34 Q9UPC5 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ SMPD1 P17405 1/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 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 0.92 BTN3A1 (0.51) BTN3A1ELANEPRTN3CARM1PRMT6
SCHEMBL22066287 0.89 BTN3A1 (0.52) BTN3A1ELANEPRTN3MAOBGPR34
SCHEMBL22066280 0.89 BTN3A1 (0.47) BTN3A1ELANEPRTN3CARM1PRMT6
SCHEMBL22065166 0.88 BTN3A1 (0.47) BTN3A1ELANEPRTN3CARM1PRMT6
SCHEMBL22065043 0.88 BTN3A1 (0.47) BTN3A1ELANEPRTN3CARM1PRMT6
SCHEMBL20833580 0.88 BTN3A1 (0.41) BTN3A1ELANEPRTN3CASP1SMN1; SMN2
SCHEMBL22066001 0.88 MRGPRX4 (0.43) BTN3A1ELANEGPR34PTPN1CASP1
SCHEMBL22066005 0.88 BTN3A1 (0.38) BTN3A1ELANEEGLN2EGLN1GPR34
SCHEMBL17550480 0.85 BTN3A1 (0.44) BTN3A1ELANESMN1; SMN2ALDH1A1GAA
SCHEMBL15203143 0.83 BTN3A1 (0.42) BTN3A1ELANECASP1SMN1; SMN2ALDH1A1

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 4653/4885MMP3 3786/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885ELANE 3870/4885MMP3 1924/4885

“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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