SCHEMBL970249

SCHEMBL970249

Nc1cccc([C@]23CCOCC2CSC(NC(=O)O)=N3)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.36
BACE2 Q9Y5Z0 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.32
KCNH2 Q12809 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
SCHEMBL968863 0.88 ALDH1A1 (0.34) BACE1BACE2USP2ALDH1A1TSHR
SCHEMBL968545 0.88 ALDH1A1 (0.34) BACE1BACE2USP2ALDH1A1TSHR
SCHEMBL6874988 0.86 HCRTR1 (0.37) BACE1BACE2
SCHEMBL932766 0.86 HCRTR1 (0.37) BACE1BACE2
SCHEMBL18192943 0.85 BACE1 (0.39) BACE1BACE2ALDH1A1
SCHEMBL18192942 0.84 BACE1 (0.40) BACE1BACE2KCNH2
SCHEMBL2926274 0.84 ALDH1A1 (0.35) BACE1USP2ALDH1A1TSHRHSD17B10
SCHEMBL2928303 0.84 BACE1 (0.39) BACE1BACE2
SCHEMBL18192855 0.84 BACE1 (0.39) BACE1BACE2
SCHEMBL2928301 0.84 BACE1 (0.39) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
EP-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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 (2 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885USP2 1239/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885USP2 1239/4885

“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.