SCHEMBL7252111

SCHEMBL7252111

CC(C)(C)OC(=O)Nc1cc(N2CCS(=O)(=O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 11/20 0.42
SIRT6 Q8N6T7 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
WDR5 P61964 2/20 0.36
MAPT P10636 2/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
STAT3 P40763 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL6164924 0.90 SERPINE1 (0.44) SERPINE1LMNAPOLBMAPTPGR
SCHEMBL5557531 0.90 SERPINE1 (0.44) SERPINE1LMNAPOLBMAPT
SCHEMBL6439266 0.87 SERPINE1 (0.42) SERPINE1SIRT6LMNAPOLBMAPT
SCHEMBL5563843 0.87 SERPINE1 (0.44) SERPINE1LMNAPOLBMAPTTDP1
SCHEMBL27517225 0.86 SERPINE1 (0.45) SERPINE1SIRT6POLBWDR5MAPT
SCHEMBL7148217 0.86 WDR5 (0.37) LMNAPOLBWDR5MAPTTDP1
SCHEMBL6469844 0.83 LMNA (0.37) LMNAPOLBWDR5MAPTRXFP1
SCHEMBL7139831 0.79 GRM5 (0.39) LMNAWDR5MAPTTDP1
SCHEMBL5557383 0.78 LMNA (0.43) LMNAPOLBMAPTPGRCYP3A4
SCHEMBL5556419 0.78 LMNA (0.43) LMNAPOLBPGRCYP3A4AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 SERPINE1 695/4885SIRT6 1219/4885LMNA 3113/4885

“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.