SCHEMBL2102576

SCHEMBL2102576

C1COCC(N2CC[N]CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.32
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
PIK3R1 P27986 3/20 0.32
PIK3CA P42336 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 2/20 0.30

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
SCHEMBL13344 0.81 HTR6 (0.38) TLR9TLR8TLR7SMN1; SMN2
SCHEMBL18207814 0.79 SMN1; SMN2 (0.35) TLR9TLR8TLR7SMN1; SMN2
SCHEMBL7450157 0.78
SCHEMBL3581397 0.78 SMN1; SMN2 (0.36) TLR9TLR8TLR7PIK3R1PIK3CA
SCHEMBL18664079 0.76 TLR9 (0.34) TLR9TLR8TLR7SMN1; SMN2OPRM1
SCHEMBL13405622 0.76 SMN1; SMN2 (0.35) TLR9TLR8TLR7SMN1; SMN2OPRM1
SCHEMBL18664071 0.76 TLR9 (0.34) TLR9TLR8TLR7SMN1; SMN2OPRM1
SCHEMBL13931066 0.76 HTR6 (0.47) TLR9TLR8TLR7SMN1; SMN2
SCHEMBL18664072 0.76 TLR9 (0.34) TLR9TLR8TLR7SMN1; SMN2OPRM1
SCHEMBL193442 0.75 PHGDH (0.34)

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
EP-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US disclosed
EP-1866276-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP disclosed
EP-1819667-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-22 EP disclosed
WO-2006102423-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 WO disclosed
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB TLR9 4717/4885TLR8 4699/4885TLR7 4105/4885

“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.