SCHEMBL684104

SCHEMBL684104

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
TRPV1 Q8NER1 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL420691 1.00 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3449733 0.83 SLC7A5 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17351893 0.83 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15937178 0.83 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL678144 0.83 SLC7A5 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL678145 0.83 SLC7A5 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL25928856 0.81 TSHR (0.33) TSHRSLC7A5
SCHEMBL18760226 0.79 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5225767 0.79 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL25710318 0.79 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R

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-8940791-B2 Acetylated amino acids as anti-platelet agents, nutritional and vitamin supplements SIGNATURE R&D HOLDINGS, LLC (US) 2015-01-27 US disclosed
US-20110312890-A1 ACETYLATED AMINO ACIDS AS ANTI-PLATELET AGENTS, NUTRITIONAL AND VITAMIN SUPPLEMENTS SIGNATURE R&D HOLDINGS, LLC (US) 2011-12-22 US disclosed
US-20110275713-A1 Acetylated amino acids as Anti-platelet agents, Nutritional And Vitamin Supplements SIGNATURE R&D HOLDINGS, LLC (US) 2011-11-10 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 (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-20110312890-A1 ACETYLATED AMINO ACIDS AS ANTI-PLATELET AGENTS, NUTRITIONAL AND VITAMIN SUPPLEMENTS PLTP, GP6, PDGFA TSHR 3362/4885CHRM2 3988/4885CHRM4 4476/4885
US-20110275713-A1 Acetylated amino acids as Anti-platelet agents, Nutritional And Vitamin Supplements PLTP, GP6, PDGFA TSHR 3362/4885CHRM2 3988/4885CHRM4 4476/4885

“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.