SCHEMBL4489074

SCHEMBL4489074

C[C@H](C(=O)O)N1CC[C@@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 3/20 0.49
CTSS P25774 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL3165723 1.00 CTSK (0.49) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL5169153 1.00 CTSK (0.49) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL4492874 1.00 CTSK (0.49) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL4483853 1.00 CTSK (0.49) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL4483343 1.00 CTSK (0.49) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL6230798 1.00 CTSK (0.49) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL22128279 0.89 CTSK (0.48) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL22128241 0.89 CTSK (0.48) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL22128240 0.89 CTSK (0.48) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL4861261 0.88 CTSK (0.47) CTSKCTSLCTSBCTSSCASP3

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-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-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
EP-1395553-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
WO-2002100830-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-12-19 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 (6 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-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 CTSK 939/4885CTSL 787/4885CTSB 1981/4885
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors TFPI, F2, SERPINC1 CTSK 380/4885CTSL 267/4885CTSB 291/4885
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 CTSK 360/4885CTSL 339/4885CTSB 328/4885
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 CTSK 1104/4885CTSL 423/4885CTSB 757/4885
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 CTSK 380/4885CTSL 267/4885CTSB 291/4885
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 CTSK 380/4885CTSL 267/4885CTSB 291/4885

“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.