SCHEMBL5214032

SCHEMBL5214032

COc1cc2c(Oc3ccc(C4CCCCC4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CES2 O00748 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
DHODH Q02127 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ESR1 P03372 2/20 0.35
MCHR1 Q99705 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL5216211 1.00 SMN1; SMN2 (0.39) SMN1; SMN2DYRK1AALDH1A1MAPTPTGDR2
SCHEMBL5210876 0.99 DYRK1A (0.38) SMN1; SMN2DYRK1AALDH1A1MAPTPTGDR2
SCHEMBL4771980 0.90 L3MBTL1 (0.34) DYRK1AESR1MCHR1L3MBTL1PRSS12
SCHEMBL5214045 0.90 PDE4A (0.38) SMN1; SMN2DYRK1AALDH1A1MAPTKMT2A
SCHEMBL5215654 0.90 PDE4B (0.39) SMN1; SMN2DYRK1APTGDR2KMT2APDE4A
SCHEMBL5213831 0.89 RXRA (0.35) DYRK1AESR1MCHR1L3MBTL1PRSS12
SCHEMBL4762803 0.89 NPC1 (0.38) DYRK1ACES2ESR1MCHR1L3MBTL1
SCHEMBL5217096 0.89 PTGDR2 (0.36) SMN1; SMN2DYRK1AALDH1A1MAPTPTGDR2
SCHEMBL5215147 0.89 KMO (0.40) DYRK1AALDH1A1PTGDR2CES2ESR1
SCHEMBL5212384 0.89 PDE4B (0.41) DYRK1APTGDR2KMT2APDE4APDE4B

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 SMN1; SMN2 4285/4885DYRK1A 3179/4885ALDH1A1 110/4885

“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.