SCHEMBL5198110

SCHEMBL5198110

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OS(=O)(=O)C(F)(F)F)cc3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.40
NR1I2 O75469 1/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
CNR2 P34972 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CTSS P25774 5/20 0.35
CTSL P07711 4/20 0.35
CTSK P43235 4/20 0.35
USP2 O75604 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL5220756 0.94 SCN9A (0.39) SCN9ANR1I2GRIN1GRIN2BPTGS2
SCHEMBL5199183 0.88 SCN9A (0.42) SCN9ANR1I2GRIN1GRIN2BPTGS2
SCHEMBL5934718 0.84 NR1H4 (0.42) SCN9ANR1I2GRIN1GRIN2BPTGS2
SCHEMBL5434937 0.84 PTGS2 (0.46) SCN9AGRIN1GRIN2BPTGS2MEN1
SCHEMBL5198176 0.83 GRIN1 (0.46) SCN9AGRIN1GRIN2BPTGS2MEN1
SCHEMBL1173704 0.83 SCN9A (0.51) SCN9ANR1I2CNR2RXFP1CNR1
SCHEMBL5438947 0.82 SCN9A (0.47) SCN9ANR1I2GRIN1GRIN2BPTGS2
SCHEMBL5197808 0.80 SCN9A (0.38) SCN9ANR1I2GRIN1GRIN2BCNR2
SCHEMBL5217612 0.80 SCN9A (0.41) SCN9ANR1I2GRIN2BPTGS2CTSK
SCHEMBL5196676 0.80 ALDH1A1 (0.43) SCN9ANR1I2MEN1KMT2ACNR2

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
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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 (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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 SCN9A 4015/4885NR1I2 95/4885GRIN1 2140/4885

“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.