SCHEMBL5545374

SCHEMBL5545374

C[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)c(F)c3)cc2n(CC(=O)N(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.40
GRIN1 Q05586 4/20 0.39
S1PR3 Q99500 4/20 0.35
GPR52 Q9Y2T5 1/20 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
SCHEMBL16991731 0.92 L3MBTL1 (0.41) GRIN2BGRIN1
SCHEMBL5540909 0.92 L3MBTL1 (0.41) GRIN2BGRIN1
SCHEMBL5545957 0.88 GRIN2B (0.39) GRIN2BGRIN1
SCHEMBL5547008 0.83 GRIN2B (0.38) GRIN2BGRIN1
SCHEMBL5548614 0.83 GRIN2B (0.38) GRIN2BGRIN1
SCHEMBL14511043 0.82 L3MBTL1 (0.37)
SCHEMBL5545697 0.82 L3MBTL1 (0.42)
SCHEMBL5538510 0.81 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL4718990 0.81 L3MBTL1 (0.43) GRIN2BGRIN1
SCHEMBL5541008 0.81 L3MBTL1 (0.41) GRIN2BGRIN1GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 GRIN2B 1400/4885GRIN1 1445/4885S1PR3 4424/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GRIN2B 4036/4885GRIN1 3219/4885S1PR3 4355/4885

“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.