SCHEMBL6162419

SCHEMBL6162419

CCc1ccc(Oc2ccc(CN3C(=O)C[C@H](OC(C)=O)C3=O)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.45
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
P2RX3 P56373 5/20 0.36
ACACB O00763 1/20 0.36
OPRM1 P35372 5/20 0.36
OPRK1 P41145 5/20 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
SCHEMBL6162428 1.00 EGLN1 (0.45) EGLN1HCRTR1HCRTR2FFAR4GRN
SCHEMBL6164463 0.91 EGLN1 (0.44) EGLN1HCRTR1HCRTR2P2RX3
SCHEMBL6164470 0.91 EGLN1 (0.44) EGLN1HCRTR1HCRTR2P2RX3
SCHEMBL6161464 0.86 HCRTR1 (0.36) EGLN1HCRTR1HCRTR2P2RX3ACACB
SCHEMBL6161473 0.86 HCRTR1 (0.36) EGLN1HCRTR1HCRTR2P2RX3ACACB
SCHEMBL6162057 0.79 S1PR5 (0.46)
SCHEMBL6157819 0.79 KMT2A (0.44) EGLN1
SCHEMBL6158889 0.75 EGLN1 (0.51) EGLN1HCRTR1HCRTR2GRNSORT1
SCHEMBL6159553 0.74 EGLN1 (0.49) EGLN1HCRTR1HCRTR2GRNSORT1
SCHEMBL3593084 0.73 ALDH1A1 (0.55)

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 841/4885HCRTR1 2881/4885HCRTR2 2908/4885

“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.