SCHEMBL752197

SCHEMBL752197

COC(=O)C(O)=CC(=O)c1cn(S(=O)(=O)c2ccccc2)cc1Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
HTR6 P50406 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FKBP1A P62942 1/20 0.33
HSD11B1 P28845 1/20 0.33
KLKB1 P03952 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33

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
SCHEMBL16921560 1.00 CA12 (0.37) CA12CA9CA1CA2EGFR
SCHEMBL4675121 0.81 PKM (0.45) EGFRERBB2KDM4EALDH1A1LMNA
SCHEMBL27606169 0.79 LMNA (0.41) EGFRERBB2KDM4EALDH1A1LMNA
SCHEMBL17922046 0.74 CA12 (0.39) CA12CA9CA1CA2KDM4E
SCHEMBL1563946 0.74 KDM4E (0.44) EGFRERBB2KDM4EALDH1A1HPGD
SCHEMBL753000 0.71 CA12 (0.38) CA12CA9CA1CA2KDM4E
SCHEMBL16921549 0.71 CA12 (0.38) CA12CA9CA1CA2KDM4E
SCHEMBL16921559 0.70 LIPG (0.42) ALDH1A1HPGDMEN1KMT2AHSP90AA1
SCHEMBL16921547 0.69 CA12 (0.38) CA12CA9CA1CA2KDM4E
SCHEMBL752081 0.69 CA12 (0.38) CA12CA9CA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CA12 4846/4885CA9 3820/4885CA1 4794/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA12 4630/4885CA9 2611/4885CA1 4422/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA12 4630/4885CA9 2611/4885CA1 4422/4885

“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.