SCHEMBL1895586

SCHEMBL1895586

CC(C)[C@H](NC1(c2ccccc2Cl)CCCCO1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.61
CASP6 P55212 20/20 0.61
CASP8 Q14790 20/20 0.61
CASP7 P55210 1/20 0.54

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
SCHEMBL1894505 0.93 CASP3 (0.59) CASP3CASP6CASP8CASP7
SCHEMBL4555789 0.92 CASP3 (0.57) CASP3CASP6CASP8CASP7
SCHEMBL4557103 0.92 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL4557046 0.92 CASP3 (0.60) CASP3CASP6CASP8CASP7
SCHEMBL4555795 0.91 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL1899349 0.91 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL4557047 0.91 CASP3 (0.61) CASP3CASP6CASP8CASP7
SCHEMBL4556374 0.90 CASP3 (0.62) CASP3CASP6CASP8CASP7
SCHEMBL1891577 0.90 CASP3 (0.62) CASP3CASP6CASP8CASP7
SCHEMBL4556858 0.90 CASP3 (0.62) CASP3CASP6CASP8CASP7

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214527-A1 Combination Of Anti-Madcam Antibody And Antifibrotic Caspase Inhibitor To Treat Liver Fibrosis BURGESS GARY 2009-08-27 US claimed
EP-1904100-A1 NEW COMBINATION OF ANTI-MADCAM ANTIBODY AND ANTIFIBROTIC CASPASE INHIBITOR TO TREAT LIVER FIBROSIS Pfizer Limited (GB) 2008-04-02 EP claimed
WO-2007007162-A1 NEW COMBINATION OF ANTI-MADCAM ANTIBODY AND ANTIFIBROTIC CASPASE INHIBITOR TO TREAT LIVER FIBROSIS PFIZER LIMITED (GB) 2007-01-18 WO claimed
EP-1091930-B1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS INC (US) 2006-12-13 EP claimed
US-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 US claimed
US-20110165167-A1 NOVAL MADCAM ANTIBODIES PFIZER LTD. (GB) 2011-07-07 US disclosed
US-7935794-B2 MAdCAM antibodies PFIZER LTD. (GB) 2011-05-03 US disclosed
EP-1904531-B1 MADCAM ANTIBODIES PFIZER LTD (GB) 2010-10-06 EP disclosed
US-20090214558-A1 NOVEL MAdCAM ANTIBODIES PFIZER INC. 2009-08-27 US disclosed
US-20090214527-A1 Combination Of Anti-Madcam Antibody And Antifibrotic Caspase Inhibitor To Treat Liver Fibrosis BURGESS GARY 2009-08-27 US disclosed
EP-1904531-A2 NOVEL MADCAM ANTIBODIES Pfizer Limited (GB) 2008-04-02 EP 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
WO-2007007173-A2 HUMAN ANTI-MADCAM ANTIBODIES 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 (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-20090214558-A1 NOVEL MAdCAM ANTIBODIES VCAM1, ICAM1, EPCAM CASP3 3604/4885CASP6 2712/4885CASP8 3268/4885
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
US-20110165167-A1 NOVAL MADCAM ANTIBODIES VCAM1, ICAM1, SELL CASP3 3240/4885CASP6 1128/4885CASP8 2959/4885

“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.