SCHEMBL2415595

SCHEMBL2415595

O=S(=O)(c1ccc(Br)cc1Cl)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.43
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA7 P43166 7/20 0.41
CA9 Q16790 7/20 0.41
CA14 Q9ULX7 7/20 0.41
CA12 O43570 6/20 0.41
CA6 P23280 6/20 0.41
CA5A P35218 6/20 0.41
CA13 Q8N1Q1 6/20 0.41
CA5B Q9Y2D0 6/20 0.41
CA4 P22748 5/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CA3 P07451 5/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2413125 0.93 HSD11B1 (0.40) COMTCA1CA2CA7CA9
SCHEMBL5504038 0.75 ALDH1A1 (0.61) LMNAHPGDNPC1RAB9AKMT2A
SCHEMBL15170415 0.73 MEN1 (0.38) HCRTR1HCRTR2HSD11B1KMT2AHTT
SCHEMBL6097571 0.73 CA12 (0.46) COMTCA1CA2CA7CA9
SCHEMBL25258150 0.72 CA1 (0.44) CA1CA2HCRTR1HCRTR2LMNA
SCHEMBL13083705 0.72 AAK1 (0.36) CA1CA2CA7CA9CA14
SCHEMBL29209807 0.72 HSD11B1 (0.45) CA1CA2CA7CA9CA14
SCHEMBL16507 0.72 TRPV4 (0.53) CA1CA2CA7CA9CA14
SCHEMBL2409974 0.72 AOC2 (0.42) CA1CA2CA7CA9CA14
SCHEMBL7422090 0.72 GAA (0.56) KMT2ASMN1; SMN2HTTTSHR

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 9 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
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
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 US disclosed
WO-2011068211-A1 2-PYRIDONE COMPOUNDS 大正製薬株式会社 (JP) 2011-06-09 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-20110237791-A1 2-PYRIDONE COMPOUNDS PDXK, HK1, KCNJ2 COMT 2769/4885CA1 4800/4885CA2 2955/4885

“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.