SCHEMBL3855072

SCHEMBL3855072

CCCN(C)c1cc(C(=O)O)cc(NCS(C)(=O)=O)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.44
KDM4D Q6B0I6 1/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
UGT1A7 Q9HAW7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
BACE1 P56817 8/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.32
CNR1 P21554 1/20 0.31
CA1 P00915 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
SCHEMBL3855490 0.88 LMNA (0.35) HCAR3CA2CA9CA12RAB9A
SCHEMBL3855074 0.78 HCAR3 (0.49) HCAR3CA2CA9CA12RAB9A
SCHEMBL3860981 0.78 HCAR3 (0.49) HCAR3CA2CA9CA12RAB9A
SCHEMBL5158285 0.77 HCAR3 (0.50) HCAR3KDM4DCA2SMN1; SMN2
SCHEMBL2259073 0.75 PTGS2 (0.41) KDM4DSMN1; SMN2KMT2ARXRA
SCHEMBL23684736 0.75 HCAR3 (0.44) HCAR3SMN1; SMN2MEN1KMT2A
SCHEMBL3857907 0.73 HCAR3 (0.47) HCAR3KDM4DBACE1MEN1KMT2A
SCHEMBL3853331 0.73 HCAR3 (0.47) HCAR3KDM4DBACE1MEN1KMT2A
SCHEMBL3854447 0.73 POLB (0.39) HCAR3SMN1; SMN2MEN1KMT2A
SCHEMBL5158280 0.73 HCAR3 (0.46) HCAR3KDM4DCA2BACE1

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 4 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

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 HCAR3 1734/4885KDM4D 560/4885CA2 497/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HCAR3 3196/4885KDM4D 2756/4885CA2 1070/4885

“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.