SCHEMBL5539097

SCHEMBL5539097

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
TLR2 O60603 3/20 0.38
PLD1 Q13393 4/20 0.37
PLD2 O14939 3/20 0.37
CNR1 P21554 2/20 0.35
ALK Q9UM73 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5545638 1.00 CNR2 (0.40) CNR2TLR2PLD1PLD2CNR1
SCHEMBL5546784 0.89 TLR2 (0.42) CNR2TLR2CNR1MEN1KMT2A
SCHEMBL5541118 0.87 TLR2 (0.42) CNR2TLR2PLD1PLD2CNR1
SCHEMBL5545427 0.87 TLR2 (0.42) CNR2TLR2PLD1PLD2CNR1
SCHEMBL5546997 0.87 MEN1 (0.46) CNR2MEN1KMT2AEGLN1L3MBTL1
SCHEMBL16991727 0.87 MEN1 (0.46) CNR2MEN1KMT2AEGLN1L3MBTL1
SCHEMBL5541259 0.87 MEN1 (0.46) CNR2MEN1KMT2AEGLN1L3MBTL1
SCHEMBL5540566 0.87 CNR2 (0.43) CNR2TLR2CNR1MEN1KMT2A
SCHEMBL5545664 0.86 TLR2 (0.40) CNR2TLR2CNR1MEN1KMT2A
SCHEMBL5541103 0.86 TLR2 (0.40) CNR2TLR2CNR1MEN1KMT2A

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 3954/4885TLR2 3732/4885PLD1 4388/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885TLR2 4373/4885PLD1 4183/4885

“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.