SCHEMBL2409408

SCHEMBL2409408

CC(C)(C)[Si](C)(C)OCCCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DUT P33316 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
POLB P06746 5/20 0.36
LMNA P02545 3/20 0.36
GRK2 P25098 3/20 0.36
RECQL P46063 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARG P37231 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36

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
SCHEMBL5198230 0.91 PLCG1 (0.44) PLCG1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL13254524 0.85 PSIP1 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1DUT
SCHEMBL20037635 0.79 KDM4E (0.41) CYP3A4CYP2C9CYP2C19ALDH1A1DUT
SCHEMBL410888 0.77 DUT (0.40) ALDH1A1DUTMAPK1KDM4E
SCHEMBL1940015 0.77 PLCG1 (0.52) PLCG1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL12284225 0.76 DUT (0.40) ALDH1A1DUTMAPK1KDM4E
SCHEMBL2415090 0.75 SIGMAR1 (0.47) ALDH1A1TDP1LMNAKDM4E
SCHEMBL11897958 0.75 DUT (0.39) CYP3A4ALDH1A1DUTKMT2ATDP1
SCHEMBL5098411 0.74 GAA (0.61) PLCG1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL578484 0.74 KDM4E (0.53) ALDH1A1DUTTDP1RECQLMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822503-B2 2-pyridone compounds TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-02 US disclosed
US-8822503-B2 2-pyridone compounds TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-02 US disclosed
US-8822503-B2 2-pyridone compounds TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-02 US disclosed
EP-2508513-A1 2-PYRIDONE COMPOUNDS Taisho Pharmaceutical Co., Ltd. (JP) 2012-10-10 EP disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 US disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 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-20110237791-A1 2-PYRIDONE COMPOUNDS PDXK, HK1, KCNJ2 PLCG1 970/4885CYP3A4 337/4885CYP2C9 1178/4885

“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.