SCHEMBL6159802

SCHEMBL6159802

CC(=O)S[C@@H]1CC(=O)N(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)nc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 12/20 0.40
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LTA4H P09960 1/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 1/20 0.36
MLNR O43193 1/20 0.36
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL6157028 0.90 PGR (0.41) KMT2ALTA4H
SCHEMBL6159553 0.87 EGLN1 (0.49) EGLN1HCRTR1HCRTR2ACACBACACA
SCHEMBL6160335 0.86 EGLN1 (0.48) EGLN1HCRTR1HCRTR2MLNRHRH3
SCHEMBL6162044 0.86 EGLN1 (0.40) EGLN1HCRTR1HCRTR2LTA4HHRH3
SCHEMBL6159518 0.86 HCRTR1 (0.48) EGLN1KMT2AHCRTR1HCRTR2ACACB
SCHEMBL6161230 0.86 EGLN1 (0.40) EGLN1HCRTR1HCRTR2LTA4HACACB
SCHEMBL6161240 0.86 EGLN1 (0.40) EGLN1HCRTR1HCRTR2LTA4HACACB
SCHEMBL6159586 0.84 LTA4H (0.41) EGLN1HCRTR1HCRTR2LTA4H
SCHEMBL6163855 0.83 EGLN1 (0.39) EGLN1
SCHEMBL6160535 0.83 LTA4H (0.38) EGLN1HCRTR1HCRTR2LTA4H

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 2 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 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 841/4885KMT2A 2631/4885HCRTR1 2881/4885

“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.