SCHEMBL3857907

SCHEMBL3857907

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.47
HCAR2 Q8TDS4 2/20 0.38
BACE1 P56817 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
GLP1R P43220 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 2/20 0.34
CXCR2 P25025 4/20 0.34
BPTF Q12830 1/20 0.34
PTGS1 P23219 1/20 0.33

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
SCHEMBL3853331 1.00 HCAR3 (0.47) HCAR3HCAR2BACE1HIPK2KDM4D
Potassium Ion SCHEMBL3860004 0.89 HCAR3 (0.39) HCAR3HCAR2BACE1HIPK2KDM4D
Potassium Ion SCHEMBL3855703 0.89 HCAR3 (0.39) HCAR3HCAR2BACE1HIPK2KDM4D
SCHEMBL3854392 0.89 HCAR3 (0.39) HCAR3BACE1GLP1RKMT2ABPTF
SCHEMBL3857860 0.84 HCAR3 (0.45) HCAR3HCAR2BACE1HIPK2KDM4D
SCHEMBL3854457 0.81 BACE1 (0.51) HCAR3HCAR2BACE1HIPK2KDM4D
SCHEMBL3854451 0.81 BACE1 (0.51) HCAR3HCAR2BACE1HIPK2KDM4D
SCHEMBL5158285 0.80 HCAR3 (0.50) HCAR3KDM4DPTGS2
SCHEMBL3854295 0.78 HCAR3 (0.49) HCAR3HCAR2BACE1HIPK2KDM4D
SCHEMBL2259073 0.78 PTGS2 (0.41) KDM4DKMT2APTGS2

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 HCAR3 1734/4885HCAR2 984/4885BACE1 2/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HCAR3 3196/4885HCAR2 2416/4885BACE1 1/4885

“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.