Sugi Predict

Sugi Predict / Compounds / SCHEMBL2336902

SCHEMBL2336902

SCHEMBL2336902

CC(=O)OC[C@H](NC(=O)[C@@H](N)Cc1ccc(OC(C)=O)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ITGB3 P05106 2/20 0.42
▸ ITGA2B P08514 2/20 0.42
▸ MME P08473 2/20 0.41
▸ ACE P12821 2/20 0.41
▸ CPA1 P15085 2/20 0.41
▸ ACE2 Q9BYF1 2/20 0.41
▸ YARS1 P54577 2/20 0.40
▸ CTSC P53634 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ GRB2 P62993 1/20 0.39

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
SCHEMBL12053134 0.92 ITGB3 (0.46) OPRK1POLBKMT2AITGB3ITGA2B
SCHEMBL684389 0.92 ITGB3 (0.46) OPRK1POLBKMT2AITGB3ITGA2B
SCHEMBL11097078 0.87 OPRK1 (0.53) OPRK1MMECTSCALDH1A1SLC7A5
SCHEMBL12035152 0.82 POLB (0.42) POLBKMT2AITGB3ITGA2BALDH1A1
SCHEMBL9980756 0.82 SLC7A5 (0.51) POLBKMT2AITGB3ITGA2BPTPN1
SCHEMBL24737121 0.81 LDHA (0.54) OPRK1KMT2AITGB3ITGA2BACE
SCHEMBL20489338 0.79 ITGB3 (0.57) ITGB3ITGA2BLTA4H
SCHEMBL450849 0.78 SLC7A5 (0.61) POLBKMT2AITGB3ITGA2BPTPN1
SCHEMBL22645606 0.78 SLC7A5 (0.61) POLBKMT2AITGB3ITGA2BPTPN1
SCHEMBL671002 0.78 SLC7A5 (0.61) POLBKMT2AITGB3ITGA2BPTPN1

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
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-20140200256-A1 Acetylated amino acids as Anti-platelet agents, Nutritional And Vitamin Supplements SIGNATURE R&D HOLDINGS, LLC (US) 2014-07-17 — — US disclosed
US-8003683-B2 Acetylated amino acids as anti-platelet agents, nutritional and vitamin supplements SIGNATURE R&D HOLDINGS, LLC (US) 2011-08-23 — — US disclosed
US-20070112060-A1 Acetylated amino acids as anti-platelet agents, nutritional and vitamin supplements SIGNATURE R&D HOLDINGS, LLC 2007-05-17 — — 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-20140200256-A1 Acetylated amino acids as Anti-platelet agents, Nutritional And Vitamin Supplements PLTP, GP6, PDGFA OPRK1 2466/4885POLB 3209/4885KMT2A 1202/4885
US-20070112060-A1 Acetylated amino acids as anti-platelet agents, nutritional and vitamin supplements PLTP, GP6, PDGFA OPRK1 2466/4885POLB 3209/4885KMT2A 1202/4885

“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.