SCHEMBL755208

SCHEMBL755208

COC(=O)/C(O)=C/C(=O)C(=O)c1cncn1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CYP11B1 P15538 12/20 0.51
▸ CYP11B2 P19099 12/20 0.51
▸ GRM2 Q14416 1/20 0.43
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL755209 1.00 CA12 (0.53) CA12CA1CA2CA9CYP11B1
SCHEMBL17684662 0.79 CYP11B1 (0.70) CA12CA1CA2CA9CYP11B1
SCHEMBL752009 0.76 CA12 (0.45) CA12CA1CA2CA9CYP11B1
SCHEMBL7169286 0.76 CYP11B1 (0.57) CA12CA1CA2CA9CYP11B1
SCHEMBL753015 0.74 CYP11B1 (0.55) CA12CA1CA2CA9CYP11B1
SCHEMBL16921561 0.74 CA12 (0.71) CA12CA1CA2CA9GAA
SCHEMBL17544548 0.69 CYP11B1 (0.52) CYP11B1CYP11B2GRM2GPBAR1
SCHEMBL765737 0.69 LMNA (0.46) CA12CA1CA2CA9GRM2
SCHEMBL751841 0.69 LMNA (0.46) CA12CA1CA2CA9GRM2
SCHEMBL16921555 0.69 GRM2 (0.45) CA12CA1CA2CA9CYP11B1

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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