Sugi Predict

Sugi Predict / Compounds / SCHEMBL319703

SCHEMBL319703

SCHEMBL319703

CO[C@@H](C(=O)N(C)C)[C@@H](C)NC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ POLB P06746 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
SCHEMBL12505764 1.00 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1POLB
SCHEMBL7127933 0.76 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL8090957 0.76 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL16405045 0.76 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL21993869 0.74 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL12505761 0.74 ALDH1A1 (0.33) —
SCHEMBL318822 0.73 MMP9 (0.40) —
SCHEMBL9716580 0.73 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1
SCHEMBL2024610 0.71 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL16761492 0.70 ALDH1A1 (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 — — EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — WO disclosed