SCHEMBL18089732

SCHEMBL18089732

COC(=O)[C@H](CC(C)C)NP(=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ ANPEP P15144 1/20 0.41

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
SCHEMBL28706139 1.00 ALDH1A1 (0.47) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL30583780 0.91 MEN1 (0.41) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL18074916 0.91 ALDH1A1 (0.48) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL28713028 0.91 ALDH1A1 (0.48) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL17601836 0.89 CA1 (0.47) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL26276821 0.88 ALDH1A1 (0.44) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL28854859 0.88 ALDH1A1 (0.44) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL31280356 0.87 ALDH1A1 (0.46) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL18266887 0.87 PTGS2 (0.44) ALDH1A1CA1CA2KMT2ACES2
SCHEMBL28854851 0.87 ALDH1A1 (0.41) ALDH1A1CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849594-B Deamination of organophosphorus nucleosides 科技学专业学院有限公司 2022-01-18 — — CN disclosed
US-20180066295-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION, S.L.U. (ES) 2018-03-08 — — US disclosed
US-20180066295-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION, S.L.U. (ES) 2018-03-08 — — US disclosed
WO-2016146808-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES INSTITUT UNIV. DE CIÈNCIA I TECNOLOGIA, S. A. (ES) 2016-09-22 — — WO 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-20180066295-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES ADA, CDA, DCTD ALDH1A1 816/4885CA1 1878/4885CA2 1256/4885

“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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