SCHEMBL4097003

SCHEMBL4097003

COCOC1CC(c2ccc(Cl)s2)(c2nnc(C3CCC3)n2C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4097004 1.00 HSD11B1 (0.41) HSD11B1MEN1ALDH1A1GAAHPGD
SCHEMBL4094929 0.96 HSD11B1 (0.45) HSD11B1
SCHEMBL4094928 0.96 HSD11B1 (0.45) HSD11B1
SCHEMBL4102221 0.89 HSD11B1 (0.37) HSD11B1
SCHEMBL4102218 0.89 HSD11B1 (0.37) HSD11B1
SCHEMBL4094867 0.86 HSD11B1 (0.36) HSD11B1
SCHEMBL4094861 0.86 HSD11B1 (0.36) HSD11B1
SCHEMBL4103439 0.84 HSD11B1 (0.41) HSD11B1
SCHEMBL4103435 0.84 HSD11B1 (0.41) HSD11B1
SCHEMBL4097931 0.83 HSD11B1 (0.47) HSD11B1

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 1/4885MEN1 2335/4885ALDH1A1 389/4885

“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.