SCHEMBL13721005

SCHEMBL13721005

CCOc1cc2c(cc1OC)C(c1ccc(C(=O)OC)cc1)=N[C@@H]1CC[S+]([O-])C[C@H]21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.55
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL13721007 1.00 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL2043775 1.00 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL13721383 0.93 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL2043102 0.93 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL2046669 0.93 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL4187567 0.89 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL15809933 0.86 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL16290197 0.86 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL15809932 0.84 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL16290196 0.84 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813509-B1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives ASTRAZENECA AB (SE) 2017-02-01 EP disclosed
US-9018175-B2 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives TAKEDA GMBH (DE) 2015-04-28 US disclosed
EP-2813509-A1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives Takeda GmbH (DE) 2014-12-17 EP disclosed
EP-2513119-B1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES TAKEDA GMBH (DE) 2014-06-25 EP disclosed
US-20120289474-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2012-11-15 US 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 (1 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-20120289474-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES PDE4A, PDE4B, PDE3B PDE4D 8/4885PDE4A 1/4885PDE4B 2/4885

“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.