SCHEMBL3137875

SCHEMBL3137875

C#Cc1ccc(NC(=O)NC(CC(C)C)C(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.65
PTGS2 P35354 1/20 0.45
FPR2 P25090 1/20 0.42
MTOR P42345 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL3137853 1.00 F10 (0.65) F10PTGS2FPR2MTORANPEP
SCHEMBL3130895 0.90 F10 (0.65) F10PTGS2MTOR
SCHEMBL3130918 0.90 F10 (0.65) F10PTGS2MTOR
SCHEMBL3126166 0.89 F10 (0.79) F10PTGS2MTOR
SCHEMBL3132856 0.89 F10 (0.65) F10PTGS2MTOR
SCHEMBL3126191 0.89 F10 (0.79) F10PTGS2MTOR
SCHEMBL3132838 0.89 F10 (0.65) F10PTGS2MTOR
SCHEMBL14078400 0.85 F10 (0.60) F10PTGS2MTOR
SCHEMBL4494790 0.85 F10 (0.71) F10PTGS2
SCHEMBL4494801 0.85 F10 (0.71) F10PTGS2

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
EP-1597244-B1 ETHYNYL DERIVATIVES SERVING AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2010-07-07 EP claimed
US-7427618-B2 Ethynyl derivatives as factor Xa inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-23 US claimed
US-20060084648-A1 Ethynyl derivatives as factor xa inhibitors MERCK PATENT GMBH (DE) 2006-04-20 US claimed
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 4/4885PTGS2 2299/4885FPR2 474/4885

“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.