SCHEMBL6159518

SCHEMBL6159518

CC(=O)S[C@@H]1CC(=O)N(Cc2ccc(Oc3ccccc3)nc2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
EGLN1 Q9GZT9 9/20 0.47
KMT2A Q03164 1/20 0.42
OPRM1 P35372 4/20 0.40
OPRK1 P41145 4/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 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
SCHEMBL6159553 0.91 EGLN1 (0.49) HCRTR1HCRTR2GRNSORT1EGLN1
SCHEMBL6160335 0.90 EGLN1 (0.48) HCRTR1HCRTR2EGLN1ALDH1A1
SCHEMBL6160144 0.87 SMN1; SMN2 (0.45) HCRTR1HCRTR2ALDH1A1
SCHEMBL6158416 0.87 SMN1; SMN2 (0.45) HCRTR1HCRTR2ALDH1A1
SCHEMBL6158423 0.87 SMN1; SMN2 (0.45) HCRTR1HCRTR2ALDH1A1
SCHEMBL6158569 0.87 SMN1; SMN2 (0.48)
SCHEMBL6159802 0.86 EGLN1 (0.40) HCRTR1HCRTR2GRNSORT1EGLN1
SCHEMBL6159925 0.83 GRM2 (0.49) ALDH1A1
SCHEMBL6157140 0.82 CCR8 (0.45) HCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL6162789 0.82 HCRTR1 (0.51) HCRTR1HCRTR2GRNSORT1EGLN1

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 HCRTR1 2881/4885HCRTR2 2908/4885GRN 2560/4885

“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.