SCHEMBL2735987

SCHEMBL2735987

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.45
▸ XDH P47989 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ FUT7 Q11130 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ FTO Q9C0B1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 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
SCHEMBL12641845 0.86 ULK1 (0.46) ULK1KDM4EGAALMNAPOLB
SCHEMBL12582027 0.84 ULK1 (0.41) ULK1XDHKDM4EGAALMNA
SCHEMBL2735980 0.74 XDH (0.50) ULK1XDHKDM4EGAALMNA
SCHEMBL14311096 0.72 ULK1 (0.49) ULK1XDHKDM4EGAALMNA
SCHEMBL2760135 0.71 ULK1 (0.48) ULK1XDHKDM4EGAALMNA
SCHEMBL20535848 0.71 KIF11 (0.46) ULK1XDHKDM4EGAALMNA
SCHEMBL17355641 0.71 FLT3 (0.35) KDM4EGAAALDH1A1HPGDKIF11
SCHEMBL6599588 0.71 IDO1 (0.55) ULK1XDHKDM4EGAALMNA
SCHEMBL668523 0.70 GPR35 (0.62) ULK1XDHKDM4EGAALMNA
SCHEMBL29803654 0.70 GPR35 (0.62) ULK1XDHKDM4EGAALMNA

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-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 — — 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
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 (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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 ULK1 951/4885XDH 3574/4885KDM4E 1123/4885

“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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