SCHEMBL754857

SCHEMBL754857

CC(C)N1CC(C(=O)c2cn(S(=O)(=O)c3ccccc3)cc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
PLA2G7 Q13093 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
GAA P10253 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PKM P14618 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
SCHEMBL16921559 0.88 LIPG (0.42) HSP90AA1PLA2G7MEN1ALDH1A1HPGD
SCHEMBL753520 0.77 LIPG (0.38) HSP90AA1MEN1ALDH1A1HPGDKMT2A
SCHEMBL4675121 0.77 PKM (0.45) HSP90AA1ALDH1A1KDM4ELMNAMAPT
SCHEMBL27606169 0.75 LMNA (0.41) HSP90AA1ALDH1A1KDM4ELMNAMAPT
SCHEMBL753282 0.75 LIPG (0.37) HSP90AA1MEN1ALDH1A1HPGDKMT2A
SCHEMBL752847 0.73 LIPG (0.35) HSP90AA1MEN1ALDH1A1HPGDKMT2A
SCHEMBL753966 0.71 CNR2 (0.37) HSP90AA1MEN1ALDH1A1HPGDKMT2A
SCHEMBL754479 0.71 CNR2 (0.37) HSP90AA1ALDH1A1NPSR1LIPG
SCHEMBL752004 0.71 ALDH1A1 (0.40) MEN1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL1563946 0.70 KDM4E (0.44) MEN1ALDH1A1HPGDKMT2AKDM4E

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 HSP90AA1 3375/4885PLA2G7 3735/4885PTGS1 2968/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HSP90AA1 3583/4885PLA2G7 3856/4885PTGS1 2889/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HSP90AA1 3583/4885PLA2G7 3856/4885PTGS1 2889/4885

“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.