SCHEMBL910261

SCHEMBL910261

COc1ccc2c(n1)N(CCC(O)COS(=O)(=O)c1ccc(C)cc1)C(=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
TXNRD1 Q16881 1/20 0.31
PTGS2 P35354 1/20 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
SCHEMBL910240 0.73 KCNH2 (0.41) CYP2C19ALDH1A1CYP2D6
SCHEMBL15850839 0.73 KCNH2 (0.41) CYP2C19ALDH1A1CYP2D6
SCHEMBL15850843 0.73 KCNH2 (0.41) CYP2C19ALDH1A1CYP2D6
SCHEMBL910339 0.70 KCNH2 (0.35) CYP2C19ALDH1A1CYP2D6
SCHEMBL140992 0.68 STAT3 (0.46) CYP2C19ALDH1A1CYP2D6
SCHEMBL20383548 0.68 ALDH1A1 (0.41) ALDH1A1HTTPOLBCYP2D6
SCHEMBL4921650 0.67 STAT3 (0.41) CYP2C19ALDH1A1CYP2D6
SCHEMBL4921663 0.67 STAT3 (0.41) CYP2C19ALDH1A1CYP2D6
SCHEMBL4929727 0.67 STAT3 (0.41) CYP2C19ALDH1A1CYP2D6
SCHEMBL3243145 0.66 ALDH1A1 (0.41) ALDH1A1HTTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 CYP2C19 1875/4885ALDH1A1 4501/4885HTT 1223/4885

“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.