SCHEMBL2419617

SCHEMBL2419617

O=S(=O)(c1ccc(B(O)O)cc1Cl)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.42
COMT P21964 1/20 0.36
CA12 O43570 6/20 0.35
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA6 P23280 6/20 0.35
CA5A P35218 6/20 0.35
CA7 P43166 6/20 0.35
CA9 Q16790 6/20 0.35
CA13 Q8N1Q1 6/20 0.35
CA14 Q9ULX7 6/20 0.35
CA5B Q9Y2D0 6/20 0.35
CA4 P22748 5/20 0.35
ENPP2 Q13822 2/20 0.34
CA3 P07451 5/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CTSS P25774 3/20 0.32
SPR P35270 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL20399722 0.76 ENPP2 (0.50) TTRENPP2CCR2
SCHEMBL2413125 0.75 HSD11B1 (0.40) COMTCA12CA1CA2CA6
Water SCHEMBL28038773 0.73 COMT (0.35) COMTCA12CA1CA2CA6
SCHEMBL2414928 0.72 ENPP2 (0.53) CA1CA2ENPP2
SCHEMBL1526272 0.71 ENPP2 (0.42) ENPP2
SCHEMBL28039072 0.70 ALDH1A1 (0.51) COMTCTSS
SCHEMBL2415595 0.69 COMT (0.43) COMTCA12CA1CA2CA6
SCHEMBL841820 0.68 TP53 (0.42) CCR2
SCHEMBL16506192 0.67 KMO (0.63) COMTCA12CA1CA2CA6
SCHEMBL19618050 0.66 KMO (0.48) COMTCA12CA1CA2CA6

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-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

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 TTR 945/4885COMT 2769/4885CA12 4872/4885

“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.