SCHEMBL5541103

SCHEMBL5541103

O=C(NC[C@@H](O)CO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C2CC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OGFRL1 Q5TC84 2/20 0.39
GPR52 Q9Y2T5 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 3/20 0.34
NTRK1 P04629 3/20 0.34
ULK1 O75385 2/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
MAPK14 Q16539 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
SCHEMBL5545664 1.00 TLR2 (0.40) TLR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5541118 0.92 TLR2 (0.42) TLR2MEN1KMT2AL3MBTL1CNR2
SCHEMBL5545427 0.92 TLR2 (0.42) TLR2MEN1KMT2AL3MBTL1CNR2
SCHEMBL5547355 0.88 TLR2 (0.41) TLR2GPR52MEN1KMT2AL3MBTL1
SCHEMBL5546008 0.86 MEN1 (0.48) GPR52MEN1KMT2AL3MBTL1CNR2
SCHEMBL5545818 0.86 MEN1 (0.48) GPR52MEN1KMT2AL3MBTL1CNR2
SCHEMBL5540883 0.86 MEN1 (0.48) GPR52MEN1KMT2AL3MBTL1CNR2
SCHEMBL5546784 0.86 TLR2 (0.42) TLR2MEN1KMT2AL3MBTL1CNR2
SCHEMBL5539097 0.86 CNR2 (0.40) TLR2MEN1KMT2AL3MBTL1CNR2
SCHEMBL5545638 0.86 CNR2 (0.40) TLR2MEN1KMT2AL3MBTL1CNR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
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 TLR2 3732/4885OPRM1 1365/4885OPRD1 760/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TLR2 4373/4885OPRM1 3750/4885OPRD1 3486/4885

“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.