SCHEMBL3856274

SCHEMBL3856274

CCC(C)Nc1cc(C(=O)OC)cc(N(C)S(=O)(=O)C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.36
EGFR P00533 5/20 0.36
LMNA P02545 1/20 0.34
HCAR3 P49019 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
STAT3 P40763 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3856280 1.00 BACE1 (0.36) BACE1EGFRLMNAHCAR3HSD17B10
SCHEMBL3857862 0.90 HCAR3 (0.41) BACE1EGFRHCAR3PIK3C3
SCHEMBL3857858 0.90 HCAR3 (0.41) BACE1EGFRHCAR3PIK3C3
SCHEMBL3854398 0.86 BACE1 (0.38) BACE1LMNAHCAR3HSD17B10STAT3
SCHEMBL3854401 0.86 BACE1 (0.38) BACE1LMNAHCAR3HSD17B10STAT3
SCHEMBL3856270 0.79 HCAR3 (0.38) BACE1EGFRLMNAHCAR3HSD17B10
SCHEMBL3855054 0.76 LMNA (0.39) BACE1LMNAHCAR3HSD17B10STAT3
SCHEMBL3855055 0.76 LMNA (0.39) BACE1LMNAHCAR3HSD17B10STAT3
SCHEMBL3853328 0.75 HCAR3 (0.45) BACE1HCAR3
SCHEMBL3857905 0.75 HCAR3 (0.45) BACE1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP BACE1 2/4885EGFR 110/4885LMNA 1677/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 BACE1 1/4885EGFR 1101/4885LMNA 2877/4885

“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.