SCHEMBL22065060

SCHEMBL22065060

C[C@H](N[P@@](=O)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.42
▸ ELANE P08246 2/20 0.39
▸ CASP1 P29466 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PRTN3 P24158 2/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL30435500 1.00 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTALDH1A1
SCHEMBL20587649 1.00 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTALDH1A1
SCHEMBL20833545 1.00 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTALDH1A1
SCHEMBL22066284 0.92 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTALDH1A1
SCHEMBL24793363 0.90 BTN3A1 (0.43) BTN3A1ELANECASP1MAPTALDH1A1
SCHEMBL28986476 0.89 BTN3A1 (0.41) BTN3A1ELANEALDH1A1KDM4ELMNA
SCHEMBL29895522 0.89 BTN3A1 (0.41) BTN3A1ELANEALDH1A1KDM4ELMNA
SCHEMBL22065039 0.89 BTN3A1 (0.51) BTN3A1ELANECASP1MAPTALDH1A1
SCHEMBL24794260 0.88 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTALDH1A1
SCHEMBL22065801 0.88 BTN3A1 (0.42) BTN3A1ELANECASP1MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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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