Sugi Predict

Sugi Predict / Compounds / SCHEMBL1870673

SCHEMBL1870673

SCHEMBL1870673

CN(C[C@@H](N)[C@@H](O)C1CCCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ METAP2 P50579 2/20 0.34
▸ EPHX1 P07099 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GMNN O75496 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRIK1 P39086 1/20 0.31
▸ GRIK2 Q13002 1/20 0.31

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
SCHEMBL3603986 0.98 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL3595027 0.98 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL12632005 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3EPHX1TP53
SCHEMBL1863892 0.79 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3METAP2EPHX1
SCHEMBL12631948 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3EPHX1TP53
SCHEMBL12631966 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3EPHX1TP53
SCHEMBL1857659 0.78 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3METAP2EPHX1
SCHEMBL4970893 0.78 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3METAP2EPHX1
SCHEMBL4970890 0.78 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3METAP2EPHX1
SCHEMBL3604080 0.76 L3MBTL1 (0.33) L3MBTL1KDM4E

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-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 — — EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE SLC6A2 3389/4885SLC6A4 3809/4885SLC6A3 2752/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE SLC6A2 3389/4885SLC6A4 3809/4885SLC6A3 2752/4885

“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.