SCHEMBL5214658

SCHEMBL5214658

COc1cc2c(Oc3ccc(C4CCC(C)C4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
ESR1 P03372 7/20 0.34
MCHR1 Q99705 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CFB P00751 2/20 0.32
DYRK1A Q13627 1/20 0.32
HTR7 P34969 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRSS12 P56730 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
STING1 Q86WV6 2/20 0.32
NPBWR1 P48145 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
SCHEMBL5210876 0.88 DYRK1A (0.38) PIK3CDESR1MCHR1PDE4APDE4B
SCHEMBL5216211 0.87 SMN1; SMN2 (0.39) PIK3CDESR1MCHR1PDE4APDE4B
SCHEMBL5214032 0.87 SMN1; SMN2 (0.39) PIK3CDESR1MCHR1PDE4APDE4B
SCHEMBL5217788 0.87 ESR1 (0.40) PIK3CDESR1DYRK1AL3MBTL1STING1
SCHEMBL4771980 0.86 L3MBTL1 (0.34) PIK3CDESR1MCHR1DYRK1AHTR7
SCHEMBL5214045 0.86 PDE4A (0.38) ESR1MCHR1PDE4APDE4BPDE4C
SCHEMBL4762803 0.85 NPC1 (0.38) PIK3CDESR1MCHR1DYRK1AHTR7
SCHEMBL5213831 0.85 RXRA (0.35) PIK3CDESR1MCHR1DYRK1AHTR7
SCHEMBL5252572 0.83 QDPR (0.49) PDE4BL3MBTL1PRSS12
SCHEMBL5218873 0.82 PIK3CD (0.36) PIK3CDESR1DYRK1AL3MBTL1STING1

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 PIK3CD 3187/4885ESR1 911/4885MCHR1 2374/4885

“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.