SCHEMBL2735993

SCHEMBL2735993

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ AOX1 Q06278 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ XDH P47989 3/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NR4A2 P43354 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL2735990 0.82 ULK1 (0.43) ULK1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL2760137 0.82 ULK1 (0.46) ULK1KDM4EKMT2AMEN1LMNA
SCHEMBL12582027 0.80 ULK1 (0.41) ULK1KDM4EKMT2AMEN1LMNA
SCHEMBL2735989 0.74 ULK1 (0.37) ULK1KDM4EKMT2AMEN1CYP1A2
SCHEMBL2735992 0.74 XDH (0.44) ULK1KDM4EKMT2AMEN1LMNA
SCHEMBL28926124 0.73 ULK1 (0.45) ULK1KMT2AMEN1CYP1A2XDH
SCHEMBL28962018 0.69 ULK1 (0.46) ULK1KMT2AMEN1CYP1A2XDH
SCHEMBL14311096 0.69 ULK1 (0.49) ULK1KDM4EKMT2AMEN1LMNA
SCHEMBL2735981 0.68 XDH (0.49) ULK1KDM4EKMT2AMEN1LMNA
SCHEMBL2735987 0.68 ULK1 (0.45) ULK1KDM4EKMT2ALMNAALDH1A1

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-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-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 — — 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 951/4885KDM4E 1123/4885KMT2A 1935/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 ULK1 193/4885KDM4E 2169/4885KMT2A 2247/4885

“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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