SCHEMBL5109028

SCHEMBL5109028

C#Cc1ccc(NC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc2ccc(-n3ccccc3=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.45
CYP2C9 P11712 1/20 0.38
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL3138332 0.91 F10 (0.44) F10CYP2C9
SCHEMBL1406028 0.87 F10 (0.54) F10
SCHEMBL1405985 0.87 F10 (0.54) F10
SCHEMBL14078392 0.87 F10 (0.47) F10CYP2C9ITGB1ITGA4
SCHEMBL1405894 0.79 F10 (0.50) F10
SCHEMBL1406097 0.78 F10 (0.55) F10
SCHEMBL1405846 0.78 F10 (0.55) F10
SCHEMBL1405891 0.78 F10 (0.52) F10
SCHEMBL4030148 0.76 F10 (0.77) F10
SCHEMBL4030144 0.76 F10 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427618-B2 Ethynyl derivatives as factor Xa inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-23 US disclosed
US-7427618-B2 Ethynyl derivatives as factor Xa inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-23 US disclosed
US-7427618-B2 Ethynyl derivatives as factor Xa inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-23 US disclosed
US-20060084648-A1 Ethynyl derivatives as factor xa inhibitors MERCK PATENT GMBH (DE) 2006-04-20 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-20060084648-A1 Ethynyl derivatives as factor xa inhibitors F12, F11, SERPINC1 F10 4/4885CYP2C9 257/4885CA12 2668/4885

“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.