SCHEMBL21724522

SCHEMBL21724522

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.39
FAAH O00519 3/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34

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
SCHEMBL21724506 1.00 ECE1 (0.39) ECE1FAAHITGB3ITGA2BSIRT2
SCHEMBL21724507 1.00 ECE1 (0.39) ECE1FAAHITGB3ITGA2BSIRT2
SCHEMBL21724523 1.00 ECE1 (0.39) ECE1FAAHITGB3ITGA2BSIRT2
SCHEMBL21732848 0.89 BIRC2 (0.45) ECE1ITGB3ITGA2BSIRT2
SCHEMBL21732842 0.89 BIRC2 (0.45) ECE1ITGB3ITGA2BSIRT2
SCHEMBL7033322 0.80 ITGB3 (0.47) ECE1ITGB3ITGA2B
SCHEMBL29727687 0.78 FAAH (0.57) FAAHSMN1; SMN2SLC6A5
SCHEMBL10891795 0.76 FAAH (0.41) FAAHITGB3ITGA2BACE2SMN1; SMN2
SCHEMBL9067217 0.76 FAAH (0.41) FAAHITGB3ITGA2BACE2SMN1; SMN2
SCHEMBL21724646 0.76 EPHX1 (0.52) SMN1; SMN2

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-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 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 (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-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 ECE1 2497/4885FAAH 2742/4885ITGB3 937/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 ECE1 2497/4885FAAH 2742/4885ITGB3 937/4885

“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.