SCHEMBL5214045

SCHEMBL5214045

COc1cc2c(Oc3ccc(C4CCC(=O)CC4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MCHR1 Q99705 2/20 0.36
HTR7 P34969 1/20 0.34
ESR2 Q92731 2/20 0.34
ESR1 P03372 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPBWR1 P48145 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MDM2 Q00987 1/20 0.34
PRSS12 P56730 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL5210876 0.91 DYRK1A (0.38) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL5214032 0.90 SMN1; SMN2 (0.39) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL5216211 0.90 SMN1; SMN2 (0.39) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL4771980 0.89 L3MBTL1 (0.34) MCHR1HTR7ESR1L3MBTL1NPBWR1
SCHEMBL4762803 0.88 NPC1 (0.38) MCHR1HTR7ESR1L3MBTL1NPBWR1
SCHEMBL5213831 0.88 RXRA (0.35) MCHR1HTR7ESR1L3MBTL1PRSS12
SCHEMBL5252572 0.86 QDPR (0.49) PDE4BL3MBTL1TP53PRSS12ALDH1A1
SCHEMBL5214658 0.86 PIK3CD (0.38) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL5763779 0.84 ALDH1A1 (0.37) MCHR1ESR1NPBWR1PRSS12KMT2A
SCHEMBL5254722 0.84 PDE4B (0.41) PDE4BL3MBTL1TP53PRSS12ALDH1A1

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
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO 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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 PDE4A 3397/4885PDE4B 2666/4885PDE4C 4001/4885

“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.