SCHEMBL4493705

SCHEMBL4493705

CC(C)(C)[Si](C)(C)Oc1cc(C=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRIM24 O15164 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
VCAM1 P19320 1/20 0.38
FDPS P14324 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TTR P02766 2/20 0.36
TACR2 P21452 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
SCHEMBL4479223 0.88 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHPGDMAPT
SCHEMBL36740 0.85 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHPGDMAPT
SCHEMBL30360260 0.85 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHPGDMAPT
SCHEMBL29234008 0.83 ALDH1A1 (0.43) ALDH1A1TSHRHPGDMAPTTRIM24
SCHEMBL23245 0.83 ALDH1A1 (0.43) ALDH1A1TSHRHPGDMAPTTRIM24
SCHEMBL498989 0.81 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHPGDMAPT
SCHEMBL14045435 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDMAPTCYP1A2
SCHEMBL30504088 0.81 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHPGDMAPT
SCHEMBL22428 0.81 ALDH1A1 (0.64) ALDH1A1TSHRLMNAHPGDMAPT
SCHEMBL6791906 0.80 ALDH1A1 (0.40) ALDH1A1TSHRHPGDMAPTCYP1A2

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 16 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

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-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 ALDH1A1 1542/4885TSHR 1908/4885LMNA 850/4885
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 ALDH1A1 685/4885TSHR 3598/4885LMNA 327/4885
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors TFPI, F2, SERPINC1 ALDH1A1 1542/4885TSHR 1908/4885LMNA 850/4885
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 ALDH1A1 1867/4885TSHR 1289/4885LMNA 1750/4885
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 ALDH1A1 1542/4885TSHR 1908/4885LMNA 850/4885
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 ALDH1A1 1542/4885TSHR 1908/4885LMNA 850/4885

“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.