SCHEMBL5548024

SCHEMBL5548024

O=C(NCC(O)CO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ALPG P10696 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 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
SCHEMBL15163569 0.90 HSD17B10 (0.46) SMN1; SMN2GAAMEN1ALDH1A1POLB
SCHEMBL5545543 0.89 MAPT (0.40) SMN1; SMN2GAAMEN1ALDH1A1POLB
SCHEMBL5545610 0.88 MAPT (0.39) SMN1; SMN2GAAMEN1ALDH1A1POLB
SCHEMBL6061576 0.87 MAPT (0.41) SMN1; SMN2GAAALDH1A1POLBLMNA
SCHEMBL5545761 0.86 MEN1 (0.37) MEN1KMT2ALMNAL3MBTL1
SCHEMBL5546950 0.82 MAPK14 (0.37) SMN1; SMN2MEN1ALDH1A1KMT2ALMNA
SCHEMBL5546008 0.77 MEN1 (0.48) MEN1KMT2AL3MBTL1
SCHEMBL5540883 0.77 MEN1 (0.48) MEN1KMT2AL3MBTL1
SCHEMBL5545818 0.77 MEN1 (0.48) MEN1KMT2AL3MBTL1
SCHEMBL5547369 0.76 MEN1 (0.41) MEN1ALDH1A1KMT2AHSD17B10L3MBTL1

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-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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (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 SMN1; SMN2 4504/4885GAA 2514/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 SMN1; SMN2 4786/4885GAA 1077/4885MEN1 4837/4885

“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.