SCHEMBL3586608

SCHEMBL3586608

COC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
KDM1A O60341 2/20 0.39
MAOB P27338 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSK P43235 2/20 0.36
GAA P10253 2/20 0.35
MAOA P21397 1/20 0.34
CTSD P07339 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 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
SCHEMBL13672053 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL763952 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL3338665 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL3338661 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL715488 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL4463947 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL1503772 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL30473186 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL28451571 0.88 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL31009025 0.88 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2

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-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 BTK 3162/4885KDM1A 4504/4885MAOB 1080/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH BTK 2825/4885KDM1A 4741/4885MAOB 1106/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA BTK 1821/4885KDM1A 4262/4885MAOB 1232/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS BTK 2875/4885KDM1A 4534/4885MAOB 2202/4885

“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.