SCHEMBL4542541

SCHEMBL4542541

O=C(O)CCCCCSc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
THRB P10828 7/20 0.48
MPI P34949 1/20 0.46
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LTB4R Q15722 1/20 0.39

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
SCHEMBL4271572 0.94 ALDH1A1 (0.59) ALDH1A1HTTNPSR1TDP1HDAC1
SCHEMBL11068279 0.87 HTT (0.53) ALDH1A1HTTNPSR1TDP1THRB
SCHEMBL21102458 0.87 THRB (0.48) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL4265215 0.82 HDAC1 (0.69) ALDH1A1HTTTDP1HDAC1HDAC2
SCHEMBL28548058 0.82 HDAC1 (0.69) ALDH1A1HTTTDP1HDAC1HDAC2
SCHEMBL4427048 0.80 HDAC3 (0.67) ALDH1A1HTTNPSR1TDP1HDAC1
SCHEMBL4405053 0.80 ALDH1A1 (0.58) ALDH1A1TDP1HDAC1HDAC2HDAC3
SCHEMBL21102255 0.80 ALDH1A1 (0.54) ALDH1A1THRBMPI
SCHEMBL9478091 0.78 THRB (0.41) ALDH1A1HTTNPSR1TDP1HDAC1
SCHEMBL4268609 0.78 ALDH1A1 (0.60) ALDH1A1TDP1HDAC1HDAC2HDAC3

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 10 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-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
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 1627/4885HTT 470/4885NPSR1 539/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ALDH1A1 1627/4885HTT 470/4885NPSR1 539/4885

“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.