SCHEMBL4798136

SCHEMBL4798136

C=CC[C@@H](C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
CYP2C19 P33261 1/20 0.39
CPA1 P15085 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP1 P03956 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.33
SLC7A5 Q01650 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 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
SCHEMBL2987274 1.00 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL2987273 1.00 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
Urea SCHEMBL29215668 0.94 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL1133379 0.85 GRIK1 (0.46) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL17213409 0.85 GRIK1 (0.37) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL23688391 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL8017237 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL11199369 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL6530499 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL6530502 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2

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
EP-2189442-B1 Process and intermediates for the preparation of aliskiren KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-10-01 EP disclosed
US-7388007-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
WO-2006026204-A2 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-09 WO disclosed
US-20060046984-A1 Novel gamma-lactams as beta-secretase inhibitors THOMPSON LORIN A III 2006-03-02 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-20060046984-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, BACE2, APP SLC1A3 1452/4885SLC1A2 971/4885SLC1A1 1219/4885

“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.