SCHEMBL5215532

SCHEMBL5215532

COc1cc2c(Oc3ccccc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.44
TTR P02766 1/20 0.43
ESR1 P03372 2/20 0.41
NUDT1 P36639 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STING1 Q86WV6 2/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL5214530 0.98 EDNRA (0.42) EDNRATTRESR1NUDT1MEN1
SCHEMBL5213763 0.95 EDNRA (0.44) EDNRATTRESR1NUDT1MEN1
SCHEMBL5766360 0.93 MAP3K8 (0.42) EDNRAESR1MCL1L3MBTL1
SCHEMBL9372502 0.91 TTR (0.49) EDNRATTRESR1NUDT1MEN1
SCHEMBL5217744 0.91 MAOB (0.43) EDNRATTRESR1ALDH1A1HPGD
SCHEMBL5742938 0.90 LPAR1 (0.44) EDNRAESR1ALDH1A1HPGDMAPT
SCHEMBL5213439 0.90 ESR1 (0.40) EDNRAESR1MEN1KMT2AMCL1
SCHEMBL4770247 0.89 ESR1 (0.38) EDNRAESR1MEN1KMT2ASTING1
SCHEMBL5215280 0.89 ESR1 (0.43) ESR1STING1MCL1BCL2L1BCL2
SCHEMBL4762793 0.89 ESR1 (0.43) ESR1STING1L3MBTL1

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 EDNRA 1664/4885TTR 1522/4885ESR1 911/4885

“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.