SCHEMBL910339

SCHEMBL910339

COc1cnc2ccc(=O)n(CCC(O)COS(=O)(=O)c3ccc(C)cc3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
PSMD10 O75832 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 3/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL15850843 0.93 KCNH2 (0.41) KCNH2ALDH1A1CYP1A2PDE10ACYP3A4
SCHEMBL15850839 0.93 KCNH2 (0.41) KCNH2ALDH1A1CYP1A2PDE10ACYP3A4
SCHEMBL910240 0.93 KCNH2 (0.41) KCNH2ALDH1A1CYP1A2PDE10ACYP3A4
SCHEMBL910574 0.80 CYP1A2 (0.39) KCNH2ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL15850859 0.72 KCNH2 (0.44) KCNH2ALDH1A1CYP1A2PDE10ACYP3A4
SCHEMBL15850835 0.72 KCNH2 (0.44) KCNH2ALDH1A1CYP1A2PDE10ACYP3A4
SCHEMBL910384 0.72 KCNH2 (0.44) KCNH2ALDH1A1CYP1A2PDE10ACYP3A4
SCHEMBL15850841 0.70 KCNH2 (0.44) KCNH2ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL910261 0.70 CYP2C19 (0.33) ALDH1A1CYP2D6CYP2C19
SCHEMBL910166 0.69 KCNH2 (0.42) KCNH2ALDH1A1CYP1A2CYP3A4USP2

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 KCNH2 3726/4885PSMD10 2223/4885ALDH1A1 4501/4885

“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.