SCHEMBL24793362

SCHEMBL24793362

C[C@H](NP(=O)(Oc1ccc(F)cc1F)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ PRTN3 P24158 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
SCHEMBL24793363 0.92 BTN3A1 (0.43) BTN3A1MRGPRX4ELANECASP1ALDH1A1
SCHEMBL22066281 0.90 TACR1 (0.41) BTN3A1SMN1; SMN2CASP1KCNA5
SCHEMBL18973558 0.89 BTN3A1 (0.49) BTN3A1ELANEKCNA5NPC1PRTN3
SCHEMBL22066280 0.89 BTN3A1 (0.47) BTN3A1MRGPRX4ELANECASP1ALDH1A1
SCHEMBL22066284 0.89 BTN3A1 (0.42) BTN3A1SMN1; SMN2MRGPRX4ELANECASP1
SCHEMBL22065039 0.87 BTN3A1 (0.51) BTN3A1MRGPRX4ELANECASP1ALDH1A1
SCHEMBL22065060 0.87 BTN3A1 (0.42) BTN3A1SMN1; SMN2MRGPRX4ELANECASP1
SCHEMBL20833545 0.87 BTN3A1 (0.42) BTN3A1SMN1; SMN2MRGPRX4ELANECASP1
SCHEMBL20587649 0.87 BTN3A1 (0.42) BTN3A1SMN1; SMN2MRGPRX4ELANECASP1
SCHEMBL30435500 0.87 BTN3A1 (0.42) BTN3A1SMN1; SMN2MRGPRX4ELANECASP1

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-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2022-12-22 — — 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-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885SMN1; SMN2 3718/4885MRGPRX4 4449/4885

“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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