SCHEMBL22895128

SCHEMBL22895128

C=CC(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 19/20 0.60
▸ F13A1 P00488 1/20 0.52
▸ TGM1 P22735 1/20 0.52

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
SCHEMBL19466025 0.88 TGM2 (0.69) TGM2F13A1TGM1
SCHEMBL19466024 0.88 TGM2 (0.69) TGM2F13A1TGM1
SCHEMBL7329157 0.86 CTSK (0.58) —
SCHEMBL1191975 0.86 CTSK (0.58) —
SCHEMBL19463544 0.85 TGM2 (0.77) TGM2F13A1TGM1
SCHEMBL19463546 0.85 TGM2 (0.77) TGM2F13A1TGM1
SCHEMBL6567773 0.85 TGM2 (0.60) TGM2
SCHEMBL15619718 0.84 TGM2 (0.82) TGM2F13A1TGM1
SCHEMBL15619216 0.84 TGM2 (0.82) TGM2F13A1TGM1
SCHEMBL15620427 0.84 TGM2 (0.82) TGM2F13A1TGM1

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-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof UNIVERSITY OF OTTAWA (CA) 2021-01-19 — — 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-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof TGM2, TGM1, TGM3 TGM2 1/4885F13A1 1726/4885TGM1 2/4885

“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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