SCHEMBL5538656

SCHEMBL5538656

CCn1c(=O)c(C(=O)NCCN(C)S(C)(=O)=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
EGLN1 Q9GZT9 3/20 0.44
KDM4E B2RXH2 9/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 4/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL5540932 0.92 MEN1 (0.43) L3MBTL1EGLN1KDM4ELMNAHTT
SCHEMBL5540787 0.91 EGLN1 (0.41) L3MBTL1EGLN1KDM4ELMNAHTT
SCHEMBL5539155 0.91 EGLN1 (0.40) L3MBTL1EGLN1KDM4ELMNATDP1
SCHEMBL5540775 0.91 EGLN1 (0.40) L3MBTL1EGLN1KDM4EHTTTDP1
SCHEMBL5540898 0.90 MEN1 (0.46) L3MBTL1EGLN1KDM4EMEN1KMT2A
SCHEMBL5547077 0.87 L3MBTL1 (0.52) L3MBTL1EGLN1KDM4ELMNAHTT
SCHEMBL5546779 0.86 L3MBTL1 (0.53) L3MBTL1KDM4ELMNAHTTALOX15
SCHEMBL15163678 0.82 L3MBTL1 (0.43) L3MBTL1KDM4ELMNAHTTALOX15
SCHEMBL5541165 0.82 L3MBTL1 (0.52) L3MBTL1KDM4ELMNAHTTALOX15
SCHEMBL5547499 0.81 TDP1 (0.43) L3MBTL1EGLN1KDM4EALOX15MAPK1

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 L3MBTL1 1411/4885EGLN1 3142/4885KDM4E 1268/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885EGLN1 3238/4885KDM4E 1255/4885

“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.