SCHEMBL6160411

SCHEMBL6160411

CCc1ccc(Oc2ccc(CN3C[C@H](CSC(N)=O)CC3=O)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 12/20 0.49
OPRM1 P35372 4/20 0.38
OPRK1 P41145 4/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IL6 P05231 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL6164431 0.91 EGLN1 (0.49) EGLN1ALDH1A1L3MBTL1
SCHEMBL6158119 0.90 EGLN1 (0.48) EGLN1OPRM1OPRK1HCRTR1HCRTR2
SCHEMBL6163855 0.87 EGLN1 (0.39) EGLN1OPRM1OPRK1
SCHEMBL6160407 0.85 EGLN1 (0.51) EGLN1
SCHEMBL6160356 0.82 EGLN1 (0.46) EGLN1HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL6161195 0.81 EGLN1 (0.46) EGLN1OPRM1OPRK1HCRTR1HCRTR2
SCHEMBL6158889 0.81 EGLN1 (0.51) EGLN1HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL6158633 0.80 EGLN1 (0.44) EGLN1OPRM1OPRK1HCRTR1HCRTR2
SCHEMBL6159553 0.80 EGLN1 (0.49) EGLN1HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL6158583 0.79 EGLN1 (0.46) EGLN1HCRTR1HCRTR2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. 2005-07-28 US claimed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP claimed
US-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. 2005-07-28 US disclosed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 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 (1 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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TST, QSOX1, MMP1 EGLN1 841/4885OPRM1 2125/4885OPRK1 2565/4885

“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.