SCHEMBL5212359

SCHEMBL5212359

COc1cc2ccsc2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
PDE10A Q9Y233 1/20 0.42
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
STING1 Q86WV6 1/20 0.38
KEAP1 Q14145 1/20 0.36
CYP2A6 P11509 2/20 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
SCHEMBL10370267 0.92 MAPT (0.46) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL3480255 0.86 PDE10A (0.48) HDAC8MAPTTSHRPDE10ACTNNB1
SCHEMBL29703102 0.86 PDE10A (0.48) HDAC8MAPTTSHRPDE10ACTNNB1
SCHEMBL28745023 0.81 PDE10A (0.45) HDAC8MAPTTSHRPDE10ACTNNB1
SCHEMBL20557882 0.79 HTR2A (0.44) HDAC8MAPTPDE10ACTNNB1WNT3A
SCHEMBL30422953 0.79 HTR2A (0.44) HDAC8MAPTPDE10ACTNNB1WNT3A
SCHEMBL10367797 0.79 GAA (0.42) HDAC8MAPTPDE10ACTNNB1WNT3A
SCHEMBL826944 0.79 CYP2A6 (0.42) TSHRCTNNB1WNT3ACYP2A6
SCHEMBL22796794 0.78 PDE10A (0.43) HDAC8MAPTTSHRPDE10ACTNNB1
SCHEMBL22215544 0.77 POLB (0.41) HDAC8MAPTTSHRPDE10ACTNNB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087475-A1 REVERSE TRANSCRIPTION OF POLYNUCLEOTIDES COMPRISING UNNATURAL NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2022-04-28 WO disclosed
WO-2021072167-A1 COMPOSITIONS AND METHODS FOR IN VIVO SYNTHESIS OF UNNATURAL POLYPEPTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-15 WO disclosed
WO-2021067313-A1 EUKARYOTIC SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-08 WO disclosed
WO-2020252262-A1 REAGENTS AND METHODS FOR REPLICATION, TRANSCRIPTION, AND TRANSLATION IN SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-17 WO disclosed
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
EP-0129478-B1 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-01-17 EP disclosed
US-4788192-A TOPICALLY APPLYING; FOR GLAUCOMA MERCK & CO., INC. (US) 1988-11-29 US disclosed
US-4668697-A Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 EP 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 HDAC8 1535/4885HDAC3 915/4885HDAC4 874/4885

“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.