SCHEMBL6159924

SCHEMBL6159924

O=C(O)c1ccccc1SS[C@@H]1CC(=O)N(Cc2ccc(Oc3ccc(F)cc3)nc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.44
HTT P42858 1/20 0.40
P2RX3 P56373 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MLNR O43193 1/20 0.39
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
CCR5 P51681 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 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
SCHEMBL6160538 0.85 EGLN1 (0.46) EGLN1HTTP2RX3MLNRCCR5
SCHEMBL6158883 0.85 EGLN1 (0.48) EGLN1HTTP2RX3HCRTR1HCRTR2
SCHEMBL6158886 0.85 EGLN1 (0.48) EGLN1HTTP2RX3HCRTR1HCRTR2
SCHEMBL6164371 0.84 EGLN1 (0.43) EGLN1HTTP2RX3HCRTR1HCRTR2
SCHEMBL6161674 0.80 EGLN1 (0.47) EGLN1HTTHCRTR1HCRTR2MLNR
SCHEMBL6160335 0.80 EGLN1 (0.48) EGLN1HTTHCRTR1HCRTR2MLNR
SCHEMBL6160366 0.79 EGLN1 (0.47) EGLN1HTTP2RX3HCRTR1HCRTR2
SCHEMBL6160459 0.79 HCRTR1 (0.42) EGLN1HTTHCRTR1HCRTR2MLNR
Hydrochloric Acid SCHEMBL6160917 0.78 EGLN1 (0.44) EGLN1HTTP2RX3HCRTR1HCRTR2
SCHEMBL6160116 0.78 EGLN1 (0.49) EGLN1HTTP2RX3HCRTR1HCRTR2

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 841/4885HTT 581/4885P2RX3 3309/4885

“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.