SCHEMBL2735989

SCHEMBL2735989

COC(=O)c1cc2c(O)c(B3OC(C)(C)C(C)(C)O3)c(CO)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.37
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ XDH P47989 2/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10191605 0.84 ULK1 (0.41) ULK1GLAGAACYP1A2MEN1
SCHEMBL2735983 0.80 XDH (0.40) ULK1GLAGAACYP1A2XDH
SCHEMBL2735990 0.76 ULK1 (0.43) ULK1GLAGAACYP1A2XDH
SCHEMBL2735993 0.74 ULK1 (0.41) ULK1GLAGAACYP1A2XDH
SCHEMBL12582027 0.74 ULK1 (0.41) ULK1GLAGAACYP1A2XDH
SCHEMBL20536016 0.71 GLA (0.41) ULK1GLAGAACYP1A2XDH
SCHEMBL20611920 0.69 XDH (0.41) GLAGAACYP1A2XDHMEN1
SCHEMBL28926124 0.68 ULK1 (0.45) ULK1GLAGAACYP1A2XDH
SCHEMBL10192911 0.68 POLB (0.41) ULK1GLAGAACYP1A2XDH
SCHEMBL2735974 0.67 XDH (0.50) XDHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 — — US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 — — US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 — — 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 ULK1 951/4885GLA 3020/4885GAA 1534/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 ULK1 193/4885GLA 4036/4885GAA 4383/4885

“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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