SCHEMBL755018

SCHEMBL755018

CCOC(=O)C(O)=CC(=O)c1oc(C2CCS(=O)(=O)CC2)cc1Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL12206808 0.91 CNR2 (0.34) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL16921576 0.81 CNR1 (0.41) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL751935 0.81 CNR1 (0.41) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL10290072 0.80 MEN1 (0.37) MEN1KMT2ALMNAMAPTGAA
SCHEMBL754104 0.77 PDE3B (0.37) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL754103 0.77 PDE3B (0.37) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL10290073 0.76 MEN1 (0.37) MEN1KMT2ALMNAMAPTGAA
SCHEMBL753146 0.72 CNR2 (0.37) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL753145 0.72 CNR2 (0.37) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL2777643 0.71 LIPG (0.41) MEN1KMT2ACNR2

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 4 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-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PDE3B 2465/4885PDE3A 2706/4885MEN1 4775/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PDE3B 2465/4885PDE3A 2706/4885MEN1 4775/4885

“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.