SCHEMBL5541100

SCHEMBL5541100

CS(=O)(=O)N1CCC(NC(=O)c2c(O)c3ncc(Cc4ccc(F)cc4)cc3n(Cc3cccnc3)c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.49
CNR1 P21554 7/20 0.49
RAB9A P51151 1/20 0.42
BRD4 O60885 1/20 0.40
CCR3 P51677 1/20 0.40
NPY5R Q15761 1/20 0.39
TLR2 O60603 1/20 0.39
CXCR4 P61073 1/20 0.38
DRD4 P21917 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
SCHEMBL5541139 0.88 CNR2 (0.50) CNR2CNR1BRD4TLR2DRD4
SCHEMBL5547150 0.87 CNR2 (0.49) CNR2CNR1BRD4TLR2
SCHEMBL5547157 0.87 CNR2 (0.49) CNR2CNR1BRD4TLR2
SCHEMBL5541161 0.85 CNR2 (0.42) CNR2CNR1RAB9ACCR3NPY5R
SCHEMBL5547227 0.84 GRIN1 (0.46) CNR2CNR1BRD4TLR2
SCHEMBL5541062 0.81 KDM4E (0.44) CNR2CNR1TLR2
SCHEMBL5546823 0.80 KDM4E (0.49) CNR2CNR1TLR2
SCHEMBL5546512 0.80 GRIN1 (0.45) CNR2
SCHEMBL5545820 0.79 CNR1 (0.49) CNR2CNR1BRD4
SCHEMBL5545819 0.79 CNR2 (0.52) CNR2CNR1RAB9ABRD4

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 3 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
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 (1 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-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885CNR1 4670/4885RAB9A 2632/4885

“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.