SCHEMBL4100468

SCHEMBL4100468

COCOC1CC(c2ccsc2)(c2nnc(C3CC3)n2C2CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
CCR5 P51681 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4100469 1.00 HSD11B1 (0.46) HSD11B1CCR5NPC1RAB9A
SCHEMBL4106029 0.82 HSD11B1 (0.42) HSD11B1NPC1RAB9A
SCHEMBL4093386 0.82 HSD11B1 (0.42) HSD11B1NPC1RAB9A
SCHEMBL4093382 0.82 HSD11B1 (0.42) HSD11B1NPC1RAB9A
SCHEMBL13902240 0.82 HSD11B1 (0.52) HSD11B1CCR5NPC1RAB9A
SCHEMBL4092381 0.82 HSD11B1 (0.52) HSD11B1CCR5NPC1RAB9A
SCHEMBL13902725 0.82 HSD11B1 (0.67) HSD11B1CCR5
SCHEMBL4092383 0.82 HSD11B1 (0.52) HSD11B1CCR5NPC1RAB9A
SCHEMBL13902645 0.79 HSD11B1 (0.49) HSD11B1CCR5NPC1RAB9A
SCHEMBL4094928 0.79 HSD11B1 (0.45) HSD11B1NPC1RAB9A

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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885CCR5 1993/4885NPC1 619/4885

“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.