SCHEMBL587006

SCHEMBL587006

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.65
USP2 O75604 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
TP53 P04637 1/20 0.45
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
PTGS1 P23219 2/20 0.36
NR1I2 O75469 1/20 0.36
ADRA1A P35348 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.36
LTA4H P09960 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33

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
SCHEMBL2030131 1.00 SLC7A5 (0.65) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL2032146 1.00 SLC7A5 (0.65) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL200720 1.00 SLC7A5 (0.65) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL497774 1.00 SLC7A5 (0.65) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL200721 1.00 SLC7A5 (0.65) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL1253160 1.00 SLC7A5 (0.65) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL15883792 0.84 SLC7A5 (0.59) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL2405354 0.84 SLC7A5 (0.59) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL1512910 0.81 SLC7A5 (0.55) SLC7A5USP2SLCO1B1TP53SLC1A3
SCHEMBL1512907 0.81 SLC7A5 (0.55) SLC7A5USP2SLCO1B1TP53SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071401-A1 AMYLIN AGONIST COMPOUNDS FOR ESTROGEN-DEFICIENT MAMMALS Amylin Pharamaceuticals, Inc. (US) 2012-03-22 US disclosed
EP-2416797-A2 AMYLIN AGONIST COMPOUNDS FOR ESTROGEN-DEFICIENT MAMMALS Amylin Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2010118384-A2 AMYLIN AGONIST COMPOUNDS FOR ESTROGEN-DEFICIENT MAMMALS AMYLIN PHARMACEUTICALS, INC. (US) 2010-10-14 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 (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-20120071401-A1 AMYLIN AGONIST COMPOUNDS FOR ESTROGEN-DEFICIENT MAMMALS BDNF, ESR1, CYP19A1 SLC7A5 4801/4885USP2 1874/4885SLCO1B1 4837/4885

“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.