SCHEMBL6158720

SCHEMBL6158720

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.46
ACACB O00763 9/20 0.41
ACACA Q13085 5/20 0.41
MLNR O43193 1/20 0.40
HTT P42858 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
SCHEMBL6160224 0.92 EGLN1 (0.43) EGLN1MLNRHTT
SCHEMBL6160930 0.92 EGLN1 (0.45) EGLN1ACACBACACAMLNRHTT
Hydrochloric Acid SCHEMBL6161361 0.86 EGLN1 (0.46) EGLN1MLNRHTT
SCHEMBL6161179 0.85 EGLN1 (0.49) EGLN1ACACBMLNRHTT
SCHEMBL6161196 0.84 EGLN1 (0.42) EGLN1MLNRHTT
SCHEMBL6159088 0.83 EGLN1 (0.46) EGLN1MLNRHTT
SCHEMBL6160335 0.82 EGLN1 (0.48) EGLN1MLNRHTT
SCHEMBL6160519 0.81 EGLN1 (0.46) EGLN1ACACBACACAMLNRHTT
SCHEMBL6159395 0.81 EGLN1 (0.49) EGLN1ACACBMLNRHTT
SCHEMBL6161246 0.81 EGLN1 (0.45) EGLN1MLNRHTT

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 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
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO 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 841/4885ACACB 1728/4885ACACA 1691/4885

“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.