SCHEMBL752009

SCHEMBL752009

COC(=O)C(O)=CC(=O)C(=O)c1cn(Cc2ccc(F)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ KDM4A O75164 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ KLKB1 P03952 3/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SNRNP200 O75643 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL16921555 0.89 GRM2 (0.45) CA12CA1CA2CA9GRM2
SCHEMBL755208 0.76 CA12 (0.53) CA12CA1CA2CA9GRM2
SCHEMBL755209 0.76 CA12 (0.53) CA12CA1CA2CA9GRM2
SCHEMBL754518 0.74 KDM5A (0.52) GRM2KDM4AKDM5AKDM4CKDM5B
SCHEMBL7186635 0.73 KDM4A (0.45) GRM2KDM4AKDM5AKDM4CKDM5B
SCHEMBL7185653 0.72 KDM5A (0.53) GRM2KDM4AKDM5AKDM4CKDM5B
SCHEMBL20656320 0.70 KLKB1 (0.44) KDM5AKDM4CKDM5BCDK5CDK5R1
SCHEMBL12076045 0.70 ALDH1A1 (0.44) KDM5AKDM4CKDM5BCDK5CDK5R1
SCHEMBL12076047 0.70 ALDH1A1 (0.44) KDM5AKDM4CKDM5BCDK5CDK5R1
SCHEMBL12080676 0.70 ALDH1A1 (0.44) KDM5AKDM4CKDM5BCDK5CDK5R1

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 4846/4885CA1 4794/4885CA2 4666/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA12 4630/4885CA1 4422/4885CA2 4439/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA12 4630/4885CA1 4422/4885CA2 4439/4885

“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.

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