SCHEMBL14851907

SCHEMBL14851907

COc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 13/20 0.66
PIK3C2G O75747 4/20 0.65
PIK3CD O00329 2/20 0.65
PIK3CG P48736 2/20 0.65
PIK3CA P42336 1/20 0.65
BRD4 O60885 1/20 0.54
BRD2 P25440 1/20 0.54
BRD3 Q15059 1/20 0.54
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL14851670 0.91 PI4KB (0.68) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL14851811 0.90 PI4KB (0.69) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL16490361 0.90 CNR1 (0.65) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL14851937 0.89 PI4KB (0.65) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL14851924 0.88 PI4KB (0.66) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL14851817 0.87 PI4KB (0.68) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL14851922 0.87 PIK3C2G (0.64) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL14851808 0.85 PIK3CD (0.75) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL14851598 0.85 PIK3C2G (0.61) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA
SCHEMBL14851601 0.84 PIK3C2G (0.64) PI4KBPIK3C2GPIK3CDPIK3CGPIK3CA

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
US-9309236-B2 PI-kinase inhibitors with broad spectrum anti-infective activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-04-12 US disclosed
US-20150051193-A1 PI-kinase Inhibitors with Broad Spectrum Anti-Infective Activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-02-19 US disclosed
WO-2013052845-A1 PI-KINASE INHIBITORS WITH BROAD SPECTRUM ANTI-INFECTIVE ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-04-11 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-20150051193-A1 PI-kinase Inhibitors with Broad Spectrum Anti-Infective Activity PIP4K2A, PIP5K1A, PIP4K2C PI4KB 9/4885PIK3C2G 89/4885PIK3CD 20/4885

“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.