SCHEMBL4729714

SCHEMBL4729714

COP(=O)(OC)c1ccc(B(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.48
▸ CA2 P00918 5/20 0.48
▸ CA1 P00915 4/20 0.48
▸ LPL P06858 3/20 0.43
▸ LIPG Q9Y5X9 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37

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
SCHEMBL14204720 0.82 ENPP2 (0.47) ENPP2CA2CA1LPLLIPG
SCHEMBL29285845 0.76 CA2 (0.48) ENPP2CA2CA1LPLLIPG
SCHEMBL914784 0.76 HKDC1 (0.53) CA2CA1KDM4EHKDC1TSHR
Hydrochloric Acid SCHEMBL28914355 0.74 CA2 (0.46) ENPP2CA2CA1LPLLIPG
SCHEMBL13624998 0.73 CA2 (0.50) ENPP2CA2CA1LPLLIPG
SCHEMBL384926 0.73 HPGD (0.54) CA2CA1HKDC1TSHRCA4
SCHEMBL14204718 0.72 HKDC1 (0.40) CA2CA1HKDC1TSHRCA4
SCHEMBL25432574 0.71 HKDC1 (0.38) CA2CA1KDM4EHKDC1CA4
SCHEMBL17923949 0.71 UTRN (0.39) CA2CA1KDM4EHKDC1CA4
SCHEMBL2030797 0.71 TDP1 (0.42) CA2CA1KDM4EHKDC1TSHR

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 6 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
WO-2008061238-A2 PROCESSES FOR PRODUCTION OF 4-BIPHENYLYAZETIDIN-2-ONES IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-22 — — WO disclosed
WO-2008057948-A2 PROCESSES FOR PRODUCTION OF DIPHENYLYLAZETIDIN-2-ONES AND RELATED COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-15 — — 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 (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 ENPP2 2553/4885CA2 1980/4885CA1 3059/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 ENPP2 1329/4885CA2 4388/4885CA1 4877/4885

“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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