SCHEMBL9925306

SCHEMBL9925306

CN1C(=N)N[C@](C)(c2cc(-c3ccc(S)cc3)ccc2F)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.35
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
BACE1 P56817 2/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL9923751 0.90 PGR (0.35) PGRNR3C1NR3C2ARBACE1
SCHEMBL9923755 0.87 PGR (0.34) PGR
SCHEMBL7554328 0.83 AKR1B1 (0.39)
SCHEMBL9923756 0.82 PGR (0.32) PGRBACE1CTSD
SCHEMBL7568343 0.78 AKR1B1 (0.34) PGRBACE1
SCHEMBL2961367 0.76 AKR1B1 (0.36) BACE1
SCHEMBL2961364 0.76 AKR1B1 (0.36) BACE1
SCHEMBL8186472 0.74 PGR (0.40) PGRBACE1CTSD
SCHEMBL7566690 0.74 CYP19A1 (0.38) ARBACE1
SCHEMBL7552682 0.73 AKR1B1 (0.35) PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 US 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-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 PGR 3043/4885NR3C1 2264/4885NR3C2 2310/4885

“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.