SCHEMBL22066281

SCHEMBL22066281

C[C@H](NP(=O)(Oc1ccccc1F)Oc1cccc2c(C[C@H](NP(=O)(Oc3ccc(F)cc3F)Oc3cccc4ccccc34)C(=O)OCc3ccccc3)cccc12)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.41
▸ BTN3A1 O00481 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LNPEP Q9UIQ6 2/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ REN P00797 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ GPR34 Q9UPC5 1/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33

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
SCHEMBL24793362 0.90 BTN3A1 (0.41) BTN3A1SMN1; SMN2KCNA5CASP1
SCHEMBL24793363 0.86 BTN3A1 (0.43) BTN3A1CASP1
SCHEMBL22066284 0.81 BTN3A1 (0.42) BTN3A1SMN1; SMN2CASP1
SCHEMBL18973558 0.80 BTN3A1 (0.49) BTN3A1KCNA5
SCHEMBL22066280 0.79 BTN3A1 (0.47) BTN3A1CASP1
SCHEMBL22065039 0.78 BTN3A1 (0.51) BTN3A1CASP1
SCHEMBL20587649 0.78 BTN3A1 (0.42) BTN3A1SMN1; SMN2CASP1
SCHEMBL22065060 0.78 BTN3A1 (0.42) BTN3A1SMN1; SMN2CASP1
SCHEMBL20833545 0.78 BTN3A1 (0.42) BTN3A1SMN1; SMN2CASP1
SCHEMBL30435500 0.78 BTN3A1 (0.42) BTN3A1SMN1; SMN2CASP1

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 TACR1 3171/4885BTN3A1 4531/4885SMN1; SMN2 4594/4885

“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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