SCHEMBL6159928

SCHEMBL6159928

CN1CCC(S[C@@H]2CC(=O)N(Cc3ccc(Oc4ccc(F)cc4)nc3)C2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.42
MLNR O43193 4/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 4/20 0.36
TP53 P04637 1/20 0.36
MMP13 P45452 2/20 0.36
HTT P42858 1/20 0.36
SLC6A4 P31645 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
SCHEMBL6159970 0.85 EGLN1 (0.41) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6160366 0.83 EGLN1 (0.47) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6158886 0.83 EGLN1 (0.48) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6158883 0.83 EGLN1 (0.48) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6160335 0.80 EGLN1 (0.48) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6161246 0.80 EGLN1 (0.45) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6161160 0.77 EGLN1 (0.46) EGLN1MLNRHCRTR1HCRTR2ALDH1A1
SCHEMBL6161674 0.77 EGLN1 (0.47) EGLN1MLNRHCRTR1HCRTR2MMP13
SCHEMBL6159088 0.77 EGLN1 (0.46) EGLN1MLNRHCRTR1HCRTR2HRH3
SCHEMBL6161179 0.76 EGLN1 (0.49) EGLN1MLNRMMP13HTT

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 841/4885MLNR 4388/4885HCRTR1 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.