SCHEMBL4870463

SCHEMBL4870463

C[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.47
CTSL P07711 5/20 0.47
CTSB P07858 3/20 0.47
CTSS P25774 2/20 0.47
CASP3 P42574 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL4478908 1.00 CTSK (0.47) CTSKCTSLCTSBCTSSCASP3
SCHEMBL4861261 1.00 CTSK (0.47) CTSKCTSLCTSBCTSSCASP3
SCHEMBL4869543 1.00 CTSK (0.47) CTSKCTSLCTSBCTSSCASP3
SCHEMBL30975235 0.91 CTSK (0.46) CTSKCTSLCTSBCTSSCASP3
SCHEMBL30975232 0.91 CTSK (0.46) CTSKCTSLCTSBCTSSCASP3
SCHEMBL3165723 0.88 CTSK (0.49) CTSKCTSLCTSBCTSSCASP3
SCHEMBL4483343 0.88 CTSK (0.49) CTSKCTSLCTSBCTSSCASP3
SCHEMBL4492874 0.88 CTSK (0.49) CTSKCTSLCTSBCTSSCASP3
SCHEMBL6230798 0.88 CTSK (0.49) CTSKCTSLCTSBCTSSCASP3
SCHEMBL4483853 0.88 CTSK (0.49) CTSKCTSLCTSBCTSSCASP3

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-7429587-B2 Pyrrolidine derivatives as factor Xa inhibitors GLAXO GROUP LIMITED (GB) 2008-09-30 US disclosed
US-7282497-B2 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2007-10-16 US disclosed
US-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-07-05 US disclosed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 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 (2 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-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 CTSK 380/4885CTSL 267/4885CTSB 291/4885
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics SULT1E1, SULT1A1, SULT2A1 CTSK 1104/4885CTSL 423/4885CTSB 757/4885

“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.