SCHEMBL6159361

SCHEMBL6159361

ClCc1ccc(Oc2cccs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.36
APP P05067 1/20 0.36
BACE1 P56817 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
LTA4H P09960 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
GSK3B P49841 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8471918 0.84 MGMT (0.37) APPBACE1KMT2AMEN1LTA4H
SCHEMBL8125571 0.81 IDO1 (0.44) APPBACE1KMT2AMEN1LTA4H
SCHEMBL8124374 0.79 MAOA (0.43) APPBACE1KMT2AMEN1LTA4H
SCHEMBL141870 0.76 LTA4H (0.50) APPBACE1KMT2ALTA4HTSHR
SCHEMBL1338731 0.75 ST14 (0.48) TTRKMT2AMEN1LTA4HALDH1A1
SCHEMBL8551187 0.75 ST14 (0.48) TTRKMT2AMEN1LTA4HALDH1A1
SCHEMBL8130697 0.75 MAPT (0.43) APPBACE1KMT2ALTA4HALDH1A1
SCHEMBL2876554 0.75 APP (0.33) APPBACE1ALDH1A1L3MBTL1MAPK1
SCHEMBL9479303 0.75 GAA (0.47) KMT2AMEN1ALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL27436301 0.73 APP (0.32) APPBACE1KMT2AMEN1MGMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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 (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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 TTR 461/4885APP 2237/4885BACE1 2215/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 TTR 549/4885APP 2346/4885BACE1 2072/4885

“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.