SCHEMBL4508161

SCHEMBL4508161

CC(C)(C)N(C(=O)O)[C@H]1CCN(c2ccc(I)cc2F)C1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.35
MAP2K1 Q02750 4/20 0.33
MAP2K2 P36507 2/20 0.33
MCHR1 Q99705 2/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL5377795 0.86 F10 (0.44) F10
SCHEMBL4851277 0.84 F10 (0.47) F10HDAC8HDAC6
SCHEMBL5386312 0.84 F10 (0.39) F10
SCHEMBL5380531 0.83 F10 (0.38) F10
SCHEMBL5379823 0.83 F10 (0.38) F10
SCHEMBL6359962 0.83 KDM4E (0.36) F10
SCHEMBL5371113 0.82 F10 (0.47) F10
SCHEMBL5380004 0.82 F10 (0.47) F10
SCHEMBL5383367 0.81 F10 (0.36) F10
SCHEMBL5467839 0.81 F10 (0.39) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482374-B2 Pyrrolidine-2-ones as Factor Xa inhibitors GLAXO GROUP LIMITED (GB) 2009-01-27 US disclosed
US-7329685-B2 1-Phenyl-2-oxo-3-sulfonylamino-pyrrolidine derivatives and related compounds as factor Xa inhibitors for the treatment of acute vascular diseases GLAXO GROUP LIMITED (GB) 2008-02-12 US disclosed
US-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
EP-1635817-B1 1-PHENYL-2-OXO-3-SULFONYLAMINO-PYRROLIDINE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR XA INHIBITORS FOR THE TREATMENT OF ACUTE VASCULAR DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
US-20060178419-A1 3-Sulfonylamino-pyrrolindine -2- one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2006-08-10 US disclosed
US-20060167079-A1 Pyrrolidine -2-ones as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2006-07-27 US disclosed
US-20060148879-A1 1-Phenyl-2-oxo-3-sulfonylamino-pyrrolidine derivatives and related compounds as factor xa inhibitors for the treatment of acute vascular diseases GLAXO GROUP LIMITED (GB) 2006-07-06 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 (4 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-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors TFPI, F2, F12 F10 13/4885MAP2K1 4702/4885MAP2K2 4569/4885
US-20060167079-A1 Pyrrolidine -2-ones as factor xa inhibitors TFPI, F2, F11 F10 10/4885MAP2K1 4525/4885MAP2K2 3925/4885
US-20060178419-A1 3-Sulfonylamino-pyrrolindine -2- one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 F10 11/4885MAP2K1 4340/4885MAP2K2 3959/4885
US-20060148879-A1 1-Phenyl-2-oxo-3-sulfonylamino-pyrrolidine derivatives and related compounds as factor xa inhibitors for the treatment of acute vascular diseases SERPINE1, PLAT, SERPINC1 F10 16/4885MAP2K1 3875/4885MAP2K2 3658/4885

“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.