SCHEMBL4454005

SCHEMBL4454005

O=C1COCCN1c1ccc(NC(=O)N2CC(O)CN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.71
PTGS2 P35354 3/20 0.54
MAPT P10636 1/20 0.52

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
SCHEMBL4455871 0.88 F10 (0.65) F10PTGS2
SCHEMBL4447306 0.87 F10 (0.55) F10MAPT
SCHEMBL4448086 0.87 F10 (0.64) F10PTGS2
SCHEMBL4446662 0.85 F10 (0.54) F10
SCHEMBL4454250 0.85 F10 (0.54) F10
SCHEMBL76892 0.83 F10 (1.00) F10PTGS2MAPT
SCHEMBL76023 0.83 F10 (1.00) F10PTGS2MAPT
SCHEMBL76143 0.83 F10 (1.00) F10PTGS2MAPT
SCHEMBL76849 0.83 F10 (1.00) F10PTGS2MAPT
SCHEMBL77859 0.83 F10 (1.00) F10PTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US claimed
EP-1608645-B1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2007-05-02 EP claimed
US-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2006-08-17 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 (1 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-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses F2, SERPINC1, F12 F10 7/4885PTGS2 1348/4885MAPT 4742/4885

“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.