SCHEMBL6163855

SCHEMBL6163855

CS(=O)(=O)Nc1ccc(Oc2ccc(CN3C[C@H](CSC(N)=O)CC3=O)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 16/20 0.39
P2RX3 P56373 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL6162365 0.88 EGLN1 (0.42) EGLN1P2RX3
SCHEMBL6160411 0.87 EGLN1 (0.49) EGLN1OPRM1OPRK1
SCHEMBL6164431 0.85 EGLN1 (0.49) EGLN1P2RX3
SCHEMBL6158119 0.85 EGLN1 (0.48) EGLN1OPRM1OPRK1
SCHEMBL6162044 0.83 EGLN1 (0.40) EGLN1
SCHEMBL6159802 0.83 EGLN1 (0.40) EGLN1
SCHEMBL6160535 0.82 LTA4H (0.38) EGLN1
SCHEMBL6160543 0.82 LTA4H (0.38) EGLN1
SCHEMBL6159586 0.81 LTA4H (0.41) EGLN1P2RX3
SCHEMBL6161240 0.81 EGLN1 (0.40) EGLN1

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 3 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
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 841/4885P2RX3 3309/4885OPRM1 2125/4885

“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.