SCHEMBL21724629

SCHEMBL21724629

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
ECE1 P42892 2/20 0.44

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
SCHEMBL21724631 1.00 DPP4 (0.51) DPP4DPP8DPP9GABRPGABRD
Hydrochloric Acid SCHEMBL21724239 0.98 DPP4 (0.50) DPP4DPP8DPP9GABRPGABRD
Hydrochloric Acid SCHEMBL21724238 0.98 DPP4 (0.50) DPP4DPP8DPP9GABRPGABRD
SCHEMBL2742759 0.90 DPP4 (0.54) DPP4DPP8DPP9GABRPGABRD
SCHEMBL12118145 0.90 DPP4 (0.54) DPP4DPP8DPP9GABRPGABRD
SCHEMBL30910782 0.84 SLC1A1 (0.43) DPP4DPP8DPP9ECE1SLC1A1
Hydrochloric Acid SCHEMBL30910803 0.83 SLC1A1 (0.42) DPP4DPP8DPP9ECE1SLC1A1
SCHEMBL15840393 0.81 DPP4 (0.40) DPP4DPP8DPP9ECE1
SCHEMBL17192783 0.80 DPP4 (0.52) DPP4DPP8DPP9GABRPGABRD
SCHEMBL29530951 0.80 FOLH1 (0.55) DPP4DPP8DPP9ECE1CYP1A2

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 DPP4 1285/4885DPP8 693/4885DPP9 1086/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 DPP4 1285/4885DPP8 693/4885DPP9 1086/4885

“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.