SCHEMBL4704572

SCHEMBL4704572

CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CC(=O)O)C(=O)N2CCOCC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSD P07339 1/20 0.39
CTSS P25774 1/20 0.39
TSHR P16473 1/20 0.38
F10 P00742 7/20 0.37
F2 P00734 1/20 0.37
KLKB1 P03952 1/20 0.37
ELANE P08246 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
CTSK P43235 2/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL8334904 0.87 GAA (0.38) GAACTSLCTSBCTSDCTSS
SCHEMBL8336602 0.87 GAA (0.38) GAACTSLCTSBCTSDCTSS
SCHEMBL8334598 0.86 GAA (0.40) GAACTSLCTSBCTSDCTSS
SCHEMBL8334385 0.85 GAA (0.34) GAACTSLCTSBCTSDCTSS
SCHEMBL6564079 0.77 GAA (0.40) GAATSHRF10F2CTSK
SCHEMBL4706056 0.77 F10 (0.39) F10F2KLKB1ELANEPOLB
SCHEMBL4705534 0.76 F10 (0.43) F10F2KLKB1ELANESMN1; SMN2
SCHEMBL4702696 0.76 F10 (0.41) F10F2KLKB1ELANEPOLB
SCHEMBL24403220 0.76 MME (0.41) GAATSHRF10F2CTSK
SCHEMBL5936027 0.76 GAA (0.39) GAATSHRF10F2CTSK

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
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 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-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 GAA 1636/4885CTSL 181/4885CTSB 238/4885

“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.