SCHEMBL5547306

SCHEMBL5547306

C[C@@H](CC(=O)O)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCCC2=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.39
CNR2 P34972 8/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
HIF1A Q16665 1/20 0.34
ROCK2 O75116 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 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
SCHEMBL5545848 1.00 EGLN1 (0.39) EGLN1CNR2ALDH1A1HSD17B10L3MBTL1
SCHEMBL5545350 0.93 CNR2 (0.40) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5541249 0.91 CNR2 (0.40) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL27686126 0.91 CNR2 (0.37) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL16010440 0.91 CNR2 (0.37) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL16010184 0.91 CNR2 (0.37) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5547031 0.91 CNR2 (0.39) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL16010443 0.90 CNR2 (0.36) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL16010186 0.90 CNR2 (0.36) CNR2ALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL5547285 0.89 CNR2 (0.39) CNR2ALDH1A1HSD17B10L3MBTL1MEN1

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 3 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
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 (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-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 EGLN1 3238/4885CNR2 4810/4885ALDH1A1 3073/4885

“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.