SCHEMBL3855872

SCHEMBL3855872

CCCN(C)C(=O)c1cc(NCS(C)(=O)=O)cc(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.36
CREBBP Q92793 1/20 0.36
HPGD P15428 2/20 0.35
NAMPT P43490 2/20 0.34
RECQL P46063 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
SCHEMBL3863167 0.88 MEN1 (0.37) MEN1KMT2ANAMPT
SCHEMBL3855627 0.85 POLB (0.50) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3960465 0.84 ALDH1A1 (0.50) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3854478 0.80 LMNA (0.42) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3855873 0.80 KDM4E (0.44) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3854906 0.80 LMNA (0.52) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL5159046 0.80 LMNA (0.52) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3854874 0.79 NOTUM (0.48) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3886309 0.79 LMNA (0.43) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL165561 0.79 ALDH1A1 (0.46) LMNAALDH1A1KDM4EMAPTHSD17B10

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 LMNA 1677/4885ALDH1A1 661/4885KDM4E 453/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 LMNA 2877/4885ALDH1A1 1523/4885KDM4E 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.