SCHEMBL22228993

SCHEMBL22228993

O=C(C(=O)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.62
CA4 P22748 1/20 0.62
CA5A P35218 1/20 0.62
CFTR P13569 1/20 0.54
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.44
ESR1 P03372 1/20 0.44
SRC P12931 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL27895861 0.83 CA2 (0.55) CA2CA4CA5ACFTRALOX15
SCHEMBL23352340 0.79 CA2 (0.50) CA2CA4CA5ACFTRALOX15
SCHEMBL8847094 0.79 KMT2A (0.53) CA2CA4CA5ACFTRALOX15
Bicarbonate SCHEMBL28587476 0.78 CA2 (0.62) CA2CA4CA5ACFTRALOX15
Phenylphosphonic Acid SCHEMBL9003185 0.78 CA2 (0.89) CA2CA4CA5ACFTRALOX15
SCHEMBL17023658 0.77 CA2 (0.48) CA2CA4CA5ACFTRALOX15
SCHEMBL58814 0.77 ALDH1A1 (0.52) CA2CA4CA5ACFTRALOX15
SCHEMBL17446544 0.77 CA2 (0.48) CA2CA4CA5ACFTRTSHR
SCHEMBL10054245 0.77 USP2 (0.50) CA2CA4CA5ACFTRALOX15
Phenylphosphonic Acid SCHEMBL34998 0.77 CA2 (1.00) CA2CA4CA5ACFTRALOX15

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
US-10815258-B2 Phosphine oxides reduction RHODIA OPERATIONS (FR) 2020-10-27 US claimed
US-20200231613-A1 PHOSPHINE OXIDES REDUCTION SPECIALTY OPERATIONS FRANCE (FR) 2020-07-23 US claimed
US-10815258-B2 Phosphine oxides reduction RHODIA OPERATIONS (FR) 2020-10-27 US disclosed
US-20200231613-A1 PHOSPHINE OXIDES REDUCTION SPECIALTY OPERATIONS FRANCE (FR) 2020-07-23 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-10815258-B2 Phosphine oxides reduction PHOSPHO1, PSPH, PTEN CA2 1666/4885CA4 344/4885CA5A 492/4885
US-20200231613-A1 PHOSPHINE OXIDES REDUCTION PHOSPHO1, PSPH, PTEN CA2 1666/4885CA4 344/4885CA5A 492/4885

“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.