SCHEMBL3854451

SCHEMBL3854451

CC[C@H](C)Nc1cc(C(=O)O)cc(S(C)(=O)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
HCAR3 P49019 6/20 0.49
GLP1R P43220 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
HIPK2 Q9H2X6 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
CXCR2 P25025 4/20 0.35
LRRK2 Q5S007 1/20 0.35
BPTF Q12830 1/20 0.35
ELANE P08246 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
SCHEMBL3854457 1.00 BACE1 (0.51) BACE1HCAR3GLP1RHCAR2HIPK2
SCHEMBL3855149 0.88 BACE1 (0.47) BACE1HCAR3GLP1RPTGS1PTGS2
SCHEMBL3855146 0.88 BACE1 (0.47) BACE1HCAR3GLP1RPTGS1PTGS2
SCHEMBL3860113 0.88 HCAR3 (0.48) BACE1HCAR3GLP1RHCAR2HIPK2
SCHEMBL3860116 0.88 HCAR3 (0.48) BACE1HCAR3GLP1RHCAR2HIPK2
SCHEMBL3855079 0.85 HCAR3 (0.46) BACE1HCAR3GLP1RHCAR2HIPK2
SCHEMBL3855077 0.85 HCAR3 (0.46) BACE1HCAR3GLP1RHCAR2HIPK2
SCHEMBL3855243 0.85 HCAR3 (0.46) BACE1HCAR3GLP1RHCAR2HIPK2
SCHEMBL3855240 0.85 HCAR3 (0.46) BACE1HCAR3GLP1RHCAR2HIPK2
SCHEMBL3853331 0.81 HCAR3 (0.47) BACE1HCAR3GLP1RHCAR2HIPK2

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 6 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
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 2/4885HCAR3 1734/4885GLP1R 180/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 BACE1 1/4885HCAR3 3196/4885GLP1R 1385/4885

“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.