SCHEMBL13035547

SCHEMBL13035547

COCOc1cccc2c1B(O)OC2CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.38
EPHX2 P34913 1/20 0.37
DRD2 P14416 5/20 0.33
BRD4 O60885 1/20 0.33
ACACB O00763 2/20 0.32
ACACA Q13085 1/20 0.32
KDM4A O75164 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL469384 0.90 LARS1 (0.39) RPS6KA1EPHX2ACACBACACAKDM4A
SCHEMBL469558 0.90 LARS1 (0.39) RPS6KA1EPHX2ACACBACACAKDM4A
SCHEMBL13035561 0.90 RPS6KA1 (0.39) RPS6KA1EPHX2DRD2ACACBACACA
SCHEMBL13035591 0.90 RPS6KA1 (0.39) RPS6KA1EPHX2DRD2ACACBACACA
SCHEMBL23939747 0.89 RPS6KA1 (0.40) RPS6KA1EPHX2DRD2BRD4KDM4A
SCHEMBL3446339 0.87 EPHX2 (0.38) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL12665665 0.87 EPHX2 (0.38) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL13035541 0.87 RPS6KA1 (0.38) RPS6KA1EPHX2DRD2ACACBACACA
SCHEMBL23939723 0.86 RPS6KA1 (0.40) RPS6KA1EPHX2DRD2ACACBACACA
SCHEMBL19672999 0.86 RPS6KA1 (0.40) RPS6KA1EPHX2DRD2ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
WO-2013093615-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 WO disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 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 (4 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-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY TBCA, TBCB, BTD RPS6KA1 2137/4885EPHX2 4793/4885DRD2 4350/4885
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 RPS6KA1 2442/4885EPHX2 4401/4885DRD2 4288/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 RPS6KA1 2442/4885EPHX2 4401/4885DRD2 4288/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 RPS6KA1 1308/4885EPHX2 1700/4885DRD2 1906/4885

“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.