SCHEMBL4492974

SCHEMBL4492974

C[C@@H](C(=O)O)N1CC[C@H](N(Cc2ccccn2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.61
F2 P00734 1/20 0.51
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
Hydrochloric Acid SCHEMBL5665284 0.99 F10 (0.60) F10F2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL4486045 0.99 F10 (0.60) F10F2PSEN1PSEN2APH1B
SCHEMBL4862394 0.90 F10 (0.57) F10F2PSEN1PSEN2APH1B
SCHEMBL4862401 0.89 F10 (0.53) F10F2PSEN1PSEN2APH1B
SCHEMBL5169766 0.89 F10 (0.75) F10
SCHEMBL5227407 0.87 F10 (0.68) F10F2
Formic Acid SCHEMBL4481404 0.86 F10 (0.71) F10
SCHEMBL4482188 0.86 F10 (0.61) F10
Hydrochloric Acid SCHEMBL4475847 0.85 F10 (0.60) F10
SCHEMBL5225549 0.85 F10 (0.74) F10

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 13 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
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-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 (5 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 F10 26/4885F2 4/4885PSEN1 894/4885
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors TFPI, F2, SERPINC1 F10 10/4885F2 2/4885PSEN1 1730/4885
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 F10 10/4885F2 4/4885PSEN1 2093/4885
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 F10 10/4885F2 2/4885PSEN1 1730/4885
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 F10 10/4885F2 2/4885PSEN1 1730/4885

“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.