SCHEMBL3860116

SCHEMBL3860116

CCC(C)Nc1cc(C(=O)O)cc(S(=O)(=O)C(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.48
BACE1 P56817 1/20 0.42
HIPK2 Q9H2X6 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLP1R P43220 1/20 0.35
CXCR2 P25025 5/20 0.33
KDM4D Q6B0I6 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL3860113 1.00 HCAR3 (0.48) HCAR3BACE1HIPK2HCAR2MEN1
SCHEMBL3856973 0.88 HCAR3 (0.39) HCAR3BACE1HIPK2GLP1R
SCHEMBL3856974 0.88 HCAR3 (0.39) HCAR3BACE1HIPK2GLP1R
SCHEMBL3854451 0.88 BACE1 (0.51) HCAR3BACE1HIPK2HCAR2MEN1
SCHEMBL3854457 0.88 BACE1 (0.51) HCAR3BACE1HIPK2HCAR2MEN1
SCHEMBL5159054 0.87 HCAR3 (0.38) HCAR3BACE1HIPK2HCAR2GLP1R
SCHEMBL3855240 0.84 HCAR3 (0.46) HCAR3BACE1HIPK2HCAR2MEN1
SCHEMBL3855077 0.84 HCAR3 (0.46) HCAR3BACE1HIPK2HCAR2MEN1
SCHEMBL3855079 0.84 HCAR3 (0.46) HCAR3BACE1HIPK2HCAR2MEN1
SCHEMBL3855243 0.84 HCAR3 (0.46) HCAR3BACE1HIPK2HCAR2MEN1

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 1734/4885BACE1 2/4885HIPK2 3718/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HCAR3 3196/4885BACE1 1/4885HIPK2 2607/4885

“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.