SCHEMBL16072730

SCHEMBL16072730

COCCC1CCN(C(=O)[C@H](CCCCNC(=O)OC)NC(=O)OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.42
▸ ITGA2B P08514 10/20 0.42
▸ TGM2 P21980 4/20 0.41
▸ F13A1 P00488 1/20 0.41
▸ TGM1 P22735 1/20 0.41
▸ P2RY12 Q9H244 4/20 0.37
▸ MBOAT4 Q96T53 1/20 0.37

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
SCHEMBL13498637 0.90 ITGB3 (0.42) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL13711557 0.80 TGM2 (0.45) TGM2F13A1TGM1
SCHEMBL14445101 0.78 TGM2 (0.41) TGM2F13A1TGM1
SCHEMBL13671325 0.77 MEN1 (0.50) ITGB3ITGA2BTGM2
SCHEMBL13674663 0.76 TGM2 (0.43) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL13674476 0.73 ACHE (0.43) TGM2F13A1TGM1
SCHEMBL13674472 0.73 TGM2 (0.46) TGM2F13A1TGM1
SCHEMBL14262320 0.72 SIRT1 (0.44) —
SCHEMBL13674665 0.70 TGM2 (0.43) TGM2F13A1TGM1P2RY12
SCHEMBL25176384 0.69 EPHX1 (0.50) TGM2

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-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2016-12-08 — — US disclosed
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 — — 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 (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-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 ITGB3 380/4885ITGA2B 420/4885TGM2 102/4885
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES TGM2, TGM3, TGM1 ITGB3 2477/4885ITGA2B 2137/4885TGM2 1/4885

“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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