SCHEMBL5548082

SCHEMBL5548082

CSCC[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.38
GSK3B P49841 1/20 0.35
CNR1 P21554 3/20 0.35
TLR2 O60603 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL15163638 0.91 CNR2 (0.41) CNR2GSK3BCNR1TLR2L3MBTL1
SCHEMBL5540566 0.87 CNR2 (0.43) CNR2GSK3BCNR1TLR2L3MBTL1
SCHEMBL15163471 0.86 CNR2 (0.42) CNR2GSK3BCNR1TLR2L3MBTL1
SCHEMBL5547046 0.84 GSK3B (0.42) CNR2GSK3BCNR1TLR2L3MBTL1
SCHEMBL5546984 0.82 CNR2 (0.41) CNR2GSK3BCNR1TLR2L3MBTL1
SCHEMBL5540750 0.81 L3MBTL1 (0.41) CNR2GSK3BCNR1TLR2L3MBTL1
SCHEMBL5540555 0.81 HIF1A (0.41) CNR2GSK3BCNR1TLR2L3MBTL1
SCHEMBL15163571 0.81 GHSR (0.40) GSK3B
SCHEMBL15163649 0.79 HIF1A (0.42) CNR2GSK3BCNR1L3MBTL1LMNA
SCHEMBL5545339 0.79 HIF1A (0.41) CNR2GSK3BCNR1TLR2L3MBTL1

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-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 CNR2 3954/4885GSK3B 2347/4885CNR1 4053/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885GSK3B 461/4885CNR1 4670/4885

“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.