SCHEMBL4467787

SCHEMBL4467787

CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CAPN1 P07384 1/20 0.57
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
CTSK P43235 6/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 2/20 0.54
MME P08473 2/20 0.52
ECE1 P42892 1/20 0.52
ANPEP P15144 1/20 0.52
CTSS P25774 3/20 0.51

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
SCHEMBL4474296 1.00 CA1 (0.59) CA1CAPN1FNTAFNTBCTSK
SCHEMBL4487966 1.00 CA1 (0.59) CA1CAPN1FNTAFNTBCTSK
SCHEMBL3169245 1.00 CA1 (0.59) CA1CAPN1FNTAFNTBCTSK
SCHEMBL11705090 0.91 FNTA (0.62) CA1FNTAFNTBCTSKCTSL
SCHEMBL11705092 0.91 FNTA (0.62) CA1FNTAFNTBCTSKCTSL
SCHEMBL22122399 0.89 CA1 (0.57) CA1FNTAFNTBCTSKCTSL
SCHEMBL22122396 0.89 CA1 (0.57) CA1FNTAFNTBCTSKCTSL
SCHEMBL5223065 0.88 CA1 (0.57) CA1FNTAFNTBCTSKCTSL
SCHEMBL30406651 0.88 CA1 (0.57) CA1FNTAFNTBCTSKCTSL
SCHEMBL1157282 0.88 FNTA (0.64) CA1FNTAFNTBCTSKCTSL

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517879-B2 Pyrrolidine derivatives as factor Xa inhibitors GLAXO GROUP LIMITED (GB) 2009-04-14 US disclosed
US-7429587-B2 Pyrrolidine derivatives as factor Xa inhibitors GLAXO GROUP LIMITED (GB) 2008-09-30 US disclosed
US-7326785-B2 Pyrrolidine derivatives as factor XA inhibitors GLAXO GROUP LIMITED (GB) 2008-02-05 US disclosed
US-7282497-B2 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2007-10-16 US disclosed
EP-1839659-A2 Chemicals compounds GLAXO GROUP LIMITED (GB) 2007-10-03 EP disclosed
US-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-07-05 US disclosed
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-06-21 US disclosed
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-06-21 US disclosed
US-7226929-B2 Pyrrolidin-2-one derivatives as inhibitors of factor xa SMITHKLINE BEECHAM CORPORATION (US) 2007-06-05 US disclosed
EP-1395606-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LTD (GB) 2007-05-02 EP disclosed
US-7186717-B2 Pyrrolidine derivatives as Factor Xa inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-03-06 US disclosed
US-7084139-B2 Pyrrolidin-2-one derivatives as inhibitors of factor Xa SMITHKLINE BEECHAM CORPORATION (US) 2006-08-01 US disclosed
US-20060160885-A1 drugs such as 6 -Chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide, used as antithrombotic agents GLAXO GROUP LIMITED (GB) 2006-07-20 US disclosed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 US disclosed
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-05-19 US disclosed
EP-1395553-B1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LTD (GB) 2005-02-16 EP disclosed
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2004-08-05 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 (7 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-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 CA1 3405/4885CAPN1 2064/4885FNTA 946/4885
US-20060160885-A1 drugs such as 6 -Chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide, used as antithrombotic agents SERPINC1, F11, TFPI CA1 2501/4885CAPN1 1683/4885FNTA 2010/4885
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors TFPI, F2, SERPINC1 CA1 3405/4885CAPN1 2064/4885FNTA 946/4885
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 CA1 2769/4885CAPN1 1786/4885FNTA 1067/4885
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics SULT1E1, SULT1A1, SULT2A1 CA1 2128/4885CAPN1 470/4885FNTA 1313/4885
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 CA1 3405/4885CAPN1 2064/4885FNTA 946/4885
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 CA1 3405/4885CAPN1 2064/4885FNTA 946/4885

“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.