SCHEMBL4551075

SCHEMBL4551075

O=C(O)c1ccc(CSc2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 4/20 0.64
HPGD P15428 3/20 0.64
ALDH1A1 P00352 4/20 0.62
RAB9A P51151 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SMN1; SMN2 Q16637 7/20 0.59
NPC1 O15118 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
HSD11B1 P28845 1/20 0.56
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
MAPK1 P28482 1/20 0.53
STAT3 P40763 1/20 0.53
SRD5A2 P31213 1/20 0.53
NR4A2 P43354 1/20 0.53

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
SCHEMBL11700132 0.85 KMT2A (0.67) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL2705369 0.84 CA12 (0.57) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL3761131 0.84 CA12 (0.57) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL509527 0.84 HPGD (0.61) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL3888099 0.84 HPGD (0.61) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL7813763 0.83 MEN1 (0.57) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL83796 0.83 MEN1 (0.80) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL3889931 0.83 MAOB (0.54) MEN1KMT2ALMNAMAPTHPGD
Hydrochloric Acid SCHEMBL27352810 0.81 MEN1 (0.77) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL15819764 0.81 SIRT2 (0.58) MEN1KMT2ALMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 2949/4885KMT2A 4322/4885LMNA 753/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS MEN1 2949/4885KMT2A 4322/4885LMNA 753/4885

“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.