SCHEMBL4576192

SCHEMBL4576192

CN(C)C(=O)Cc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 19/20 0.38
RORC P51449 1/20 0.34
GRIN1 Q05586 3/20 0.34

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
SCHEMBL4576187 0.91 GRIN2B (0.36) GRIN2BGRIN1
SCHEMBL4591362 0.90 MEN1 (0.34) GRIN2B
SCHEMBL4927680 0.90 ALDH1A1 (0.41) GRIN2BGRIN1
SCHEMBL4576606 0.88 MEN1 (0.37) GRIN2BGRIN1
SCHEMBL14067571 0.88 MEN1 (0.38) GRIN2B
SCHEMBL4906072 0.88 KDM4E (0.42) GRIN2B
SCHEMBL4576778 0.88 TACR1 (0.33) GRIN2B
SCHEMBL4576446 0.87 GRIN2B (0.36) GRIN2BGRIN1
SCHEMBL5545343 0.87 MEN1 (0.36) GRIN2B
SCHEMBL4575647 0.86 GRIN2B (0.34) GRIN2BGRIN1

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 4068/4885RORC 2710/4885GRIN1 3318/4885

“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.