SCHEMBL3855873

SCHEMBL3855873

CCCN(C)C(=O)c1cc(C(=O)OC)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GALR3 O60755 1/20 0.36
BACE1 P56817 3/20 0.35
TP53 P04637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL5159229 0.90 KMT2A (0.38) KDM4EKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL3863169 0.85 RAB9A (0.38) KDM4EKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL475760 0.85 KDM4E (0.56) KDM4EKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL3355550 0.82 LMNA (0.42) KDM4EKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL3855627 0.82 POLB (0.50) KDM4EKMT2ALMNAALDH1A1MEN1
SCHEMBL3886309 0.81 LMNA (0.43) KDM4EKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL3854874 0.81 NOTUM (0.48) KDM4EKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL5156755 0.80 MEN1 (0.39) KDM4EKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL3855872 0.80 LMNA (0.42) KDM4EKMT2ALMNAALDH1A1MEN1
SCHEMBL3854478 0.80 LMNA (0.42) KDM4EKMT2ALMNAL3MBTL1ALDH1A1

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL 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 KDM4E 453/4885KMT2A 619/4885LMNA 1677/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 KDM4E 1975/4885KMT2A 2934/4885LMNA 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.