SCHEMBL25682249

SCHEMBL25682249

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 7/20 0.47
▸ CYP2C9 P11712 1/20 0.39
▸ DPP7 Q9UHL4 8/20 0.38
▸ DPP8 Q6V1X1 7/20 0.38
▸ DPP9 Q86TI2 7/20 0.38
▸ DPP4 P27487 5/20 0.38
▸ F2 P00734 1/20 0.37
▸ ECE1 P42892 1/20 0.35

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
SCHEMBL24629311 0.85 PSMB5 (0.50) PSMB5DPP7DPP8DPP9DPP4
SCHEMBL24702732 0.85 PSMB5 (0.50) PSMB5DPP7DPP8DPP9DPP4
SCHEMBL25682244 0.82 PSMB5 (0.49) PSMB5CYP2C9DPP7DPP8DPP9
SCHEMBL25682208 0.81 PSMB5 (0.54) PSMB5DPP7DPP8DPP9DPP4
SCHEMBL26292274 0.80 FAAH (0.53) PSMB5DPP7DPP8DPP9DPP4
SCHEMBL20314797 0.79 PSMB5 (0.53) PSMB5CYP2C9DPP7DPP8DPP9
SCHEMBL6450119 0.74 CYP2C9 (0.43) PSMB5CYP2C9ECE1
SCHEMBL15811060 0.72 ECE1 (0.51) CYP2C9ECE1
SCHEMBL7358174 0.72 ECE1 (0.51) CYP2C9ECE1
SCHEMBL7358176 0.72 ECE1 (0.51) CYP2C9ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190775-A1 METHODS AND COMPOSITIONS RELATING TO CLBP INHIBITION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-22 — — 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 (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-20230190775-A1 METHODS AND COMPOSITIONS RELATING TO CLBP INHIBITION NCBP1, CNBP, OSBP PSMB5 1714/4885CYP2C9 4780/4885DPP7 4150/4885

“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.

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