SCHEMBL5210876

SCHEMBL5210876

COc1cc2c(Oc3ccc(C4CCCC4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
CES2 O00748 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
MCHR1 Q99705 1/20 0.35
ESR1 P03372 5/20 0.35
PRSS12 P56730 1/20 0.35
PIK3CD O00329 1/20 0.35
HSD11B1 P28845 1/20 0.35
MYC P01106 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 1/20 0.34
HTR7 P34969 1/20 0.34

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 0.99 SMN1; SMN2 (0.39) DYRK1AALDH1A1MAPTSMN1; SMN2PTGDR2
SCHEMBL5214032 0.99 SMN1; SMN2 (0.39) DYRK1AALDH1A1MAPTSMN1; SMN2PTGDR2
SCHEMBL5214045 0.91 PDE4A (0.38) DYRK1AALDH1A1MAPTSMN1; SMN2PDE4A
SCHEMBL4771980 0.91 L3MBTL1 (0.34) DYRK1AMCHR1ESR1PRSS12PIK3CD
SCHEMBL4762803 0.90 NPC1 (0.38) DYRK1ACES2MCHR1ESR1PRSS12
SCHEMBL5213831 0.90 RXRA (0.35) DYRK1AMCHR1ESR1PRSS12PIK3CD
SCHEMBL5215654 0.89 PDE4B (0.39) DYRK1ASMN1; SMN2PTGDR2PDE4APDE4B
SCHEMBL5252572 0.89 QDPR (0.49) ALDH1A1CES2PDE4BPRSS12HSD11B1
SCHEMBL5214658 0.88 PIK3CD (0.38) DYRK1APTGDR2PDE4APDE4BPDE4C
SCHEMBL5217096 0.88 PTGDR2 (0.36) DYRK1AALDH1A1MAPTSMN1; SMN2PTGDR2

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 DYRK1A 3179/4885ALDH1A1 110/4885MAPT 4197/4885

“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.