SCHEMBL5538780

SCHEMBL5538780

CC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccc(N3CCCC3)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
L3MBTL1 Q9Y468 3/20 0.38
EGLN1 Q9GZT9 3/20 0.37
EGLN3 Q9H6Z9 2/20 0.37
EGLN2 Q96KS0 1/20 0.37
CNR1 P21554 2/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL5540762 0.89 CNR2 (0.41) CNR2L3MBTL1EGLN1CNR1HPGD
SCHEMBL5547211 0.88 CNR2 (0.42) CNR2L3MBTL1CNR1HPGDMEN1
SCHEMBL16991725 0.87 CNR2 (0.46) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5538571 0.87 L3MBTL1 (0.40) CNR2L3MBTL1MEN1KMT2A
SCHEMBL5546812 0.84 CNR2 (0.41) CNR2L3MBTL1EGLN1EGLN3EGLN2
SCHEMBL5546738 0.84 CNR2 (0.42) CNR2L3MBTL1HPGDMEN1KMT2A
SCHEMBL5543114 0.83 POLB (0.45) CNR2L3MBTL1HPGDMEN1KMT2A
SCHEMBL5540851 0.83 L3MBTL1 (0.41) CNR2L3MBTL1HPGDMEN1KMT2A
SCHEMBL5541242 0.82 L3MBTL1 (0.41) CNR2L3MBTL1EGLN1EGLN3EGLN2
SCHEMBL5545412 0.82 CNR2 (0.46) CNR2L3MBTL1CNR1MEN1KMT2A

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 3954/4885L3MBTL1 1411/4885EGLN1 3142/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885L3MBTL1 1408/4885EGLN1 3238/4885

“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.