SCHEMBL3857713

SCHEMBL3857713

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.40
ACACB O00763 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PDK2 Q15119 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA9 Q16790 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
NAMPT P43490 2/20 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
SCHEMBL3854271 0.89 HCAR3 (0.44) HCAR3ACACBALDH1A1PDK2MEN1
SCHEMBL3854548 0.84 LMNA (0.43) ACACBALDH1A1PDK2PPARGPPARA
SCHEMBL5176861 0.83 LMNA (0.34) HCAR3ACACBALDH1A1PPARGPPARA
SCHEMBL3855652 0.83 HCAR3 (0.40) HCAR3ACACBALDH1A1PDK2MEN1
SCHEMBL13306259 0.83 TPMT (0.52) HCAR3ALDH1A1PDK2MEN1KMT2A
SCHEMBL3860120 0.81 TPMT (0.40) HCAR3ACACBALDH1A1PDK2MEN1
SCHEMBL5155614 0.81 TPMT (0.50) HCAR3ALDH1A1PDK2MEN1KMT2A
SCHEMBL3854441 0.81 TPMT (0.50) HCAR3ALDH1A1PDK2MEN1KMT2A
SCHEMBL3853726 0.81 CA12 (0.44) HCAR3ACACBALDH1A1PDK2MEN1
SCHEMBL3853305 0.81 KMT2A (0.44) HCAR3ACACBALDH1A1PPARGPPARA

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 1734/4885ACACB 170/4885ALDH1A1 661/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HCAR3 3196/4885ACACB 2753/4885ALDH1A1 1523/4885

“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.