SCHEMBL5547157

SCHEMBL5547157

O=C(NC1CCS(=O)(=O)CC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2cccnc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.49
CNR1 P21554 8/20 0.49
BRD4 O60885 1/20 0.41
DGAT2 Q96PD7 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TLR2 O60603 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5547150 0.94 CNR2 (0.49) CNR2CNR1BRD4GRIN1GRIN2B
SCHEMBL5541139 0.90 CNR2 (0.50) CNR2CNR1BRD4GRIN1GRIN2B
SCHEMBL5546974 0.88 CNR2 (0.48) CNR2CNR1BRD4DGAT2GRIN1
SCHEMBL5541100 0.87 CNR2 (0.49) CNR2CNR1BRD4TLR2
SCHEMBL5547227 0.85 GRIN1 (0.46) CNR2CNR1BRD4GRIN1GRIN2B
SCHEMBL5541062 0.84 KDM4E (0.44) CNR2CNR1GRIN1GRIN2BTLR2
SCHEMBL5546970 0.82 CNR2 (0.48) CNR2CNR1BRD4GRIN1GRIN2B
SCHEMBL5546512 0.82 GRIN1 (0.45) CNR2GRIN1GRIN2BKDM4EALDH1A1
SCHEMBL5538441 0.78 ALDH1A1 (0.49) TLR2KDM4EALDH1A1LMNATSHR
SCHEMBL5547353 0.78 CNR2 (0.48) CNR2CNR1GRIN1GRIN2B

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 3954/4885CNR1 4053/4885BRD4 36/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885CNR1 4670/4885BRD4 223/4885

“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.