SCHEMBL3863182

SCHEMBL3863182

COC(=O)c1cc(NC2CC2)nc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.41
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CNR1 P21554 1/20 0.35
KCNH2 Q12809 1/20 0.35
AURKB Q96GD4 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL3854002 0.88 HCAR3 (0.43) BACE1PTGS2
SCHEMBL5158385 0.86 BACE1 (0.34) BACE1KDM4EHSD17B10
SCHEMBL4509116 0.78 BACE1 (0.60) BACE1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL2018841 0.77 KDM4E (0.42) KMT2AKDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL3863177 0.77 KDM4E (0.37) KDM4EALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL5159403 0.76 BACE1 (0.42) BACE1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL3854401 0.76 BACE1 (0.38) BACE1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL3854398 0.76 BACE1 (0.38) BACE1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL3859493 0.75 PTGS2 (0.42) KMT2AKDM4EALDH1A1HSD17B10MEN1
SCHEMBL3855487 0.72 KDM4E (0.39) BACE1KMT2AKDM4EALDH1A1L3MBTL1

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 2/4885KMT2A 619/4885KDM4E 453/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 BACE1 1/4885KMT2A 2934/4885KDM4E 1975/4885

“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.