SCHEMBL19480311

SCHEMBL19480311

C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 20/20 1.00
▸ F13A1 P00488 2/20 0.69
▸ TGM1 P22735 2/20 0.69
▸ TGM6 O95932 1/20 0.69

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
SCHEMBL29359298 1.00 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL22895154 0.91 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL15619631 0.89 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL31032996 0.88 TGM2 (0.95) TGM2F13A1TGM1TGM6
SCHEMBL19464180 0.88 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL19480306 0.86 TGM2 (1.00) TGM2
SCHEMBL31033030 0.86 TGM2 (1.00) TGM2
SCHEMBL31033018 0.86 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL22895108 0.86 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL17007552 0.86 TGM2 (0.83) TGM2F13A1TGM1TGM6

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 2 patents. 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
WO-2017179018-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2017-10-19 — — 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 (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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