SCHEMBL6160538

SCHEMBL6160538

O=C(O)c1ccc(SS[C@@H]2CC(=O)N(Cc3ccc(Oc4ccc(F)cc4)nc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.46
MLNR O43193 4/20 0.43
HTT P42858 1/20 0.41
P2RX3 P56373 3/20 0.41
CCR5 P51681 2/20 0.41
HRH3 Q9Y5N1 4/20 0.40
PRKAA2 P54646 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL6164371 0.90 EGLN1 (0.43) EGLN1MLNRHTTP2RX3CCR5
SCHEMBL6158886 0.86 EGLN1 (0.48) EGLN1MLNRHTTP2RX3HRH3
SCHEMBL6158883 0.86 EGLN1 (0.48) EGLN1MLNRHTTP2RX3HRH3
SCHEMBL6159924 0.85 EGLN1 (0.44) EGLN1MLNRHTTP2RX3CCR5
SCHEMBL6161674 0.81 EGLN1 (0.47) EGLN1MLNRHTTPRKAA2
SCHEMBL6160335 0.81 EGLN1 (0.48) EGLN1MLNRHTTHRH3PRKAA2
SCHEMBL6160366 0.80 EGLN1 (0.47) EGLN1MLNRHTTP2RX3HRH3
Hydrochloric Acid SCHEMBL6160917 0.80 EGLN1 (0.44) EGLN1MLNRHTTP2RX3PRKAA2
SCHEMBL6160116 0.79 EGLN1 (0.49) EGLN1MLNRHTTP2RX3
SCHEMBL6161246 0.79 EGLN1 (0.45) EGLN1MLNRHTTP2RX3PRKAA2

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 4388/4885HTT 581/4885

“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.