SCHEMBL6161196

SCHEMBL6161196

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.42
PPARG P37231 7/20 0.40
PPARA Q07869 7/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
POLB P06746 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
PPARD Q03181 2/20 0.38
MLNR O43193 1/20 0.37
SCN9A Q15858 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
P2RX3 P56373 2/20 0.36
HTT P42858 1/20 0.36

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) EGLN1PPARGPPARACTSSCTSK
SCHEMBL6160930 0.92 EGLN1 (0.45) EGLN1MLNRHTT
SCHEMBL6158720 0.84 EGLN1 (0.46) EGLN1MLNRHTT
Hydrochloric Acid SCHEMBL6160917 0.84 EGLN1 (0.44) EGLN1MLNRP2RX3HTT
SCHEMBL6158886 0.80 EGLN1 (0.48) EGLN1MLNRP2RX3HTT
SCHEMBL6158883 0.80 EGLN1 (0.48) EGLN1MLNRP2RX3HTT
SCHEMBL6161674 0.79 EGLN1 (0.47) EGLN1MLNRHTT
SCHEMBL6160519 0.78 EGLN1 (0.46) EGLN1MLNRHTT
Hydrochloric Acid SCHEMBL6161361 0.77 EGLN1 (0.46) EGLN1MLNRP2RX3HTT
SCHEMBL6160335 0.77 EGLN1 (0.48) 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 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 841/4885PPARG 3077/4885PPARA 3137/4885

“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.