SCHEMBL77467

SCHEMBL77467

CO[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2F)N(C(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.58
MTOR P42345 1/20 0.44
KLKB1 P03952 1/20 0.39

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
SCHEMBL76109 0.92 F10 (0.68) F10KLKB1
SCHEMBL5956904 0.90 F10 (0.56) F10MTORKLKB1
SCHEMBL76643 0.84 F10 (0.82) F10
SCHEMBL5956912 0.83 F10 (0.54) F10MTOR
SCHEMBL5956910 0.83 F10 (0.67) F10MTOR
SCHEMBL13694709 0.83 F10 (0.63) F10KLKB1
SCHEMBL5956908 0.82 F10 (0.57) F10MTOR
SCHEMBL3830144 0.82 F10 (0.73) F10KLKB1
SCHEMBL76974 0.82 F10 (0.68) F10
SCHEMBL75922 0.82 F10 (0.68) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US claimed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US claimed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US claimed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP claimed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX F10 5/4885MTOR 2911/4885KLKB1 723/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885MTOR 3783/4885KLKB1 2357/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885MTOR 2911/4885KLKB1 723/4885

“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.