SCHEMBL2485045

SCHEMBL2485045

COC(=O)C(O)=CC(=O)c1oc(C(C)(C)C)cc1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 1/20 0.34
CNR2 P34972 3/20 0.33
GPR55 Q9Y2T6 2/20 0.33
CNR1 P21554 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL2485043 1.00 MAPK14 (0.42) MAPK14MEN1KMT2ANPSR1CA12
SCHEMBL754113 0.92 CA12 (0.34) MAPK14MEN1KMT2ANPSR1CA12
SCHEMBL754114 0.92 CA12 (0.34) MAPK14MEN1KMT2ANPSR1CA12
SCHEMBL753146 0.86 CNR2 (0.37) MEN1KMT2ANPSR1CA12CA1
SCHEMBL753145 0.86 CNR2 (0.37) MEN1KMT2ANPSR1CA12CA1
SCHEMBL2486035 0.81 ALDH1A1 (0.38) KMT2ACNR2GPR55CNR1KDM4E
SCHEMBL755491 0.81 RAB9A (0.34) MEN1KMT2ACA12CA1CA2
SCHEMBL2486036 0.81 ALDH1A1 (0.38) KMT2ACNR2GPR55CNR1KDM4E
SCHEMBL755492 0.81 RAB9A (0.34) MEN1KMT2ACA12CA1CA2
SCHEMBL751935 0.79 CNR1 (0.41) MEN1KMT2ANPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 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 MAPK14 3701/4885MEN1 4766/4885KMT2A 516/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK14 3586/4885MEN1 4775/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK14 3586/4885MEN1 4775/4885KMT2A 667/4885

“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.