SCHEMBL13624998

SCHEMBL13624998

O=P(O)(O)c1ccc(B(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CA5A P35218 2/20 0.50
▸ ENPP2 Q13822 6/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ CA1 P00915 3/20 0.44
▸ LPL P06858 2/20 0.44
▸ LIPG Q9Y5X9 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CA6 P23280 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ MGLL Q99685 2/20 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
SCHEMBL2171752 0.81 CA2 (0.71) CA2CA4CA5ATSHR
SCHEMBL29285845 0.78 CA2 (0.48) CA2CA4CA5AENPP2KDM4E
Hydrochloric Acid SCHEMBL28914355 0.76 CA2 (0.46) CA2CA4CA5AENPP2KDM4E
SCHEMBL14204720 0.76 ENPP2 (0.47) CA2CA4CA5AENPP2KDM4E
SCHEMBL18815955 0.75 CA2 (0.58) CA2CA4CA5AENPP2CA1
SCHEMBL204921 0.74 ENPP2 (0.73) CA2CA4CA5AENPP2KDM4E
SCHEMBL4729714 0.73 ENPP2 (0.48) CA2CA4CA5AENPP2KDM4E
SCHEMBL22999982 0.73 CA2 (0.60) CA2CA4CA5ATSHRCA14
SCHEMBL4953765 0.73 CA2 (0.60) CA2CA4CA5ATSHRCA14
Phenylboronic Acid SCHEMBL28454899 0.72 ENPP2 (0.74) CA2CA4CA5AENPP2KDM4E

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-20090292135-A1 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-11-26 — — US disclosed
US-20090292135-A1 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-11-26 — — US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 — — US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 — — 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-20090292135-A1 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS ZNF207, TST, BOLA2; BOLA2B CA2 1980/4885CA4 2221/4885CA5A 2785/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 CA2 4388/4885CA4 3955/4885CA5A 593/4885

“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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