SCHEMBL131409

SCHEMBL131409

O=S(=O)=Nc1ccc(B(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA1 P00915 4/20 0.41
▸ LPL P06858 2/20 0.41
▸ LIPG Q9Y5X9 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ F11 P03951 1/20 0.35

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
Methane SCHEMBL3871182 0.74 ENPP2 (0.44) ENPP2KDM4EMGLL
SCHEMBL9480117 0.73 S100B (0.44) KDM4ECA2CA1CA4CA5A
SCHEMBL14396321 0.73 ENPP2 (0.48) ENPP2KDM4ECA2CA1LPL
SCHEMBL204921 0.71 ENPP2 (0.73) ENPP2KDM4ECA2CA1LPL
SCHEMBL55943 0.68 TSHR (0.50) ENPP2KDM4ECA2CA1LPL
SCHEMBL11635138 0.65 CA2 (0.46) KDM4ECA2CA1TSHRCA4
SCHEMBL23493576 0.65 ENPP2 (0.59) ENPP2KDM4ECA2CA1TSHR
SCHEMBL23169123 0.64 TRPA1 (0.64) KDM4ECA2CA1TSHR
SCHEMBL22361789 0.64 CA2 (0.48) ENPP2KDM4ECA2CA1LPL
SCHEMBL22361790 0.64 CA2 (0.48) ENPP2KDM4ECA2CA1LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 — — EP disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 — — US disclosed
EP-1768966-A1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS Infinity Pharmaceuticals, Inc. (US) 2007-04-04 — — EP disclosed
US-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2006-02-02 — — US disclosed
WO-2006009869-A1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY PHARMACEUTICALS, INC. (US) 2006-01-26 — — 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-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 ENPP2 1029/4885KDM4E 2006/4885CA2 2966/4885

“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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