SCHEMBL6159709

SCHEMBL6159709

O=C(SC1CCN(Cc2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
F10 P00742 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
EGLN1 Q9GZT9 1/20 0.42
SRC P12931 3/20 0.42
CHRM4 P08173 1/20 0.41
FAAH O00519 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL6158696 0.93 SRC (0.45) LTA4HF10HRH3EGLN1SRC
SCHEMBL6157016 0.87 HRH3 (0.44) LTA4HF10HRH3EGLN1CHRM4
SCHEMBL6157396 0.82 HCRTR1 (0.43) LTA4HCHRM4
SCHEMBL6160163 0.81 HRH3 (0.45) LTA4HHRH3EGLN1SRCFAAH
SCHEMBL6158480 0.80 ALDH1A1 (0.47) LTA4H
SCHEMBL10369717 0.78 ACE (0.47)
SCHEMBL6159347 0.78 HRH3 (0.47) LTA4HF10HRH3EGLN1FAAH
SCHEMBL6158417 0.77 HPGD (0.42) LTA4HEGLN1
SCHEMBL6158783 0.75 HRH3 (0.47) LTA4HF10HRH3EGLN1FAAH
SCHEMBL10369195 0.75 ALDH1A1 (0.37) HDAC1HDAC8HDAC6

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 LTA4H 1800/4885F10 3002/4885HRH3 505/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 LTA4H 1646/4885F10 2953/4885HRH3 463/4885

“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.