SCHEMBL4556709

SCHEMBL4556709

CC(C)C[C@H](NC1(c2cccc3ccccc23)CCCCO1)C(=O)N[C@@H](CC(=O)O)C(=O)CF

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.41
CASP6 P55212 8/20 0.38
CASP8 Q14790 8/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
ANPEP P15144 2/20 0.36
PSMB5 P28074 1/20 0.35

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
SCHEMBL4551785 1.00 CASP3 (0.41) CASP3CASP6CASP8CASP7CASP9
SCHEMBL4553175 0.90 CASP3 (0.48) CASP3CASP6CASP8CASP7CASP9
SCHEMBL7642622 0.89 CASP3 (0.34) CASP3CASP6CASP8CASP7ANPEP
SCHEMBL4553167 0.87 PSMB5 (0.36) CASP3CASP6CASP8CASP7ANPEP
SCHEMBL4551966 0.86 CASP3 (0.54) CASP3CASP6CASP8
SCHEMBL4556890 0.86 CASP3 (0.55) CASP3CASP6CASP8
SCHEMBL4556844 0.86 CASP3 (0.55) CASP3CASP6CASP8CASP7
SCHEMBL4553453 0.86 CASP1 (0.42) CASP3CASP6CASP8CASP7ANPEP
SCHEMBL4973269 0.86 CASP3 (0.54) CASP3CASP6CASP8
SCHEMBL4564535 0.84 CASP3 (0.40) CASP3CASP6CASP8

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-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 US claimed
US-20090214527-A1 Combination Of Anti-Madcam Antibody And Antifibrotic Caspase Inhibitor To Treat Liver Fibrosis BURGESS GARY 2009-08-27 US disclosed
EP-1904100-A1 NEW COMBINATION OF ANTI-MADCAM ANTIBODY AND ANTIFIBROTIC CASPASE INHIBITOR TO TREAT LIVER FIBROSIS Pfizer Limited (GB) 2008-04-02 EP disclosed
WO-2007007162-A1 NEW COMBINATION OF ANTI-MADCAM ANTIBODY AND ANTIFIBROTIC CASPASE INHIBITOR TO TREAT LIVER FIBROSIS PFIZER LIMITED (GB) 2007-01-18 WO 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-20090214527-A1 Combination Of Anti-Madcam Antibody And Antifibrotic Caspase Inhibitor To Treat Liver Fibrosis CASP5, ADAM17, CASP1 CASP3 24/4885CASP6 21/4885CASP8 44/4885

“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.