SCHEMBL4576187

SCHEMBL4576187

CN(C)C(=O)CCc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.36
GRIN1 Q05586 2/20 0.33
HIF1A Q16665 4/20 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
SCHEMBL4576192 0.91 GRIN2B (0.38) GRIN2BGRIN1
SCHEMBL4906060 0.90 ALDH1A1 (0.40) GRIN2BGRIN1
SCHEMBL4591113 0.90 GRIN2B (0.30) GRIN2B
SCHEMBL4575637 0.89 MPO (0.35) GRIN2BGRIN1HIF1A
SCHEMBL4591362 0.88 MEN1 (0.34) GRIN2BHIF1A
SCHEMBL14067527 0.88 MEN1 (0.37) GRIN2BHIF1A
SCHEMBL4907397 0.88 KDM4E (0.41) GRIN2BHIF1A
SCHEMBL4895083 0.87 HIF1A (0.36) GRIN2BGRIN1HIF1A
SCHEMBL4576606 0.86 MEN1 (0.37) GRIN2BGRIN1HIF1A
SCHEMBL4576778 0.86 TACR1 (0.33) GRIN2BHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP claimed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 GRIN2B 4068/4885GRIN1 3318/4885HIF1A 3129/4885

“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.