SCHEMBL4408377

SCHEMBL4408377

O=C(O)CCCCCCCCCSc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
HDAC1 Q13547 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC3 O15379 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC4 P56524 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
HSP90AA1 P07900 1/20 0.47
KCNH2 Q12809 1/20 0.47
PTGS2 P35354 1/20 0.46
LMNA P02545 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL4280874 1.00 ALDH1A1 (0.62) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL8364505 1.00 ALDH1A1 (0.62) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL4412163 1.00 ALDH1A1 (0.62) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL416482 0.93 ALDH1A1 (0.72) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL8088391 0.85 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL710248 0.85 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL5081086 0.85 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL7820281 0.85 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL3943933 0.85 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC8
SCHEMBL989865 0.85 HSP90AA1 (0.57) ALDH1A1HSP90AA1KCNH2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP claimed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 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 (2 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-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ALDH1A1 1627/4885HDAC1 754/4885HDAC2 2892/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ALDH1A1 1627/4885HDAC1 754/4885HDAC2 2892/4885

“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.