SCHEMBL5160205

SCHEMBL5160205

CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.59
MMP8 P22894 2/20 0.52
FCER2 P06734 6/20 0.51
MMP1 P03956 5/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 1/20 0.51
MMP9 P14780 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
ANPEP P15144 1/20 0.48
KLKB1 P03952 1/20 0.48
KLK1 P06870 1/20 0.48
PTPN1 P18031 1/20 0.47

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
SCHEMBL6411176 0.93 F7 (0.57) F7MMP8FCER2MMP1ALDH1A1
SCHEMBL6407136 0.87 F7 (0.64) F7MMP8FCER2MMP1ALDH1A1
SCHEMBL6407703 0.85 MMP1 (0.53) F7MMP1ALDH1A1KMT2AKLKB1
SCHEMBL6407898 0.85 F7 (0.55) F7MMP8FCER2MMP1ALDH1A1
SCHEMBL6407102 0.81 F7 (0.52) F7MMP8FCER2MMP1ALDH1A1
SCHEMBL14761375 0.81 CHRNB2 (0.58) CTSLCTSBCTSSPTPN1
SCHEMBL6409719 0.81 F7 (0.51) F7FCER2MMP1ALDH1A1KMT2A
SCHEMBL5176720 0.79 ALDH1A1 (0.57) F7MMP8MMP1ALDH1A1KMT2A
SCHEMBL6019903 0.78 CTSL (0.76) CTSLCTSBCTSS
SCHEMBL14765234 0.78 CHRNB2 (0.64) PTPN1

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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 US claimed
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed
US-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 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 (1 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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases LDLR, NPC1L1, CETP F7 4389/4885MMP8 3190/4885FCER2 781/4885

“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.