SCHEMBL4704430

SCHEMBL4704430

COC[C@H](NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.55
KLK5 Q9Y337 1/20 0.55
MME P08473 1/20 0.53
ANPEP P15144 1/20 0.53
REN P00797 1/20 0.53
CTSS P25774 3/20 0.52
CTSK P43235 2/20 0.52
BACE1 P56817 9/20 0.50
PPARA Q07869 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.48

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
SCHEMBL8138593 0.90 CTSS (0.59) KLK7KLK5RENCTSSCTSK
SCHEMBL12873043 0.90 KLK7 (0.65) KLK7KLK5MMEANPEPCTSS
SCHEMBL17464243 0.90 KLK7 (0.65) KLK7KLK5MMEANPEPCTSS
SCHEMBL11682562 0.89 MME (0.59) KLK7KLK5MMEANPEPREN
SCHEMBL31372427 0.88 PPARA (0.60) KLK7KLK5CTSSCTSKPPARA
SCHEMBL15569246 0.88 PPARA (0.60) KLK7KLK5CTSSCTSKPPARA
SCHEMBL8138595 0.88 PPARA (0.60) KLK7KLK5CTSSCTSKPPARA
SCHEMBL19388264 0.86 BACE1 (0.61) KLK7KLK5RENCTSSCTSK
SCHEMBL21467154 0.86 REN (0.64) MMEANPEPRENBACE1BACE2
SCHEMBL6619713 0.85 KLK7 (0.58) KLK7KLK5MMEANPEPREN

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 4 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
EP-1567489-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 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-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 KLK7 310/4885KLK5 320/4885MME 1489/4885

“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.