SCHEMBL4925912

SCHEMBL4925912

O=C(N[C@@H](Cc1cccc(F)c1)C(=O)NCC1CC(Br)=NO1)OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.78
CTSS P25774 4/20 0.51
CTSK P43235 3/20 0.51
CTSB P07858 3/20 0.51
CTSL P07711 2/20 0.47

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
SCHEMBL14070446 1.00 TGM2 (0.78) TGM2CTSSCTSKCTSBCTSL
SCHEMBL4925919 1.00 TGM2 (0.78) TGM2CTSSCTSKCTSBCTSL
SCHEMBL14070443 0.91 TGM2 (0.86) TGM2CTSSCTSKCTSBCTSL
SCHEMBL4925938 0.91 TGM2 (0.86) TGM2CTSSCTSKCTSBCTSL
SCHEMBL4925942 0.91 TGM2 (0.86) TGM2CTSSCTSKCTSBCTSL
SCHEMBL9825174 0.91 TGM2 (0.83) TGM2CTSSCTSKCTSBCTSL
SCHEMBL4934172 0.91 TGM2 (0.83) TGM2CTSSCTSKCTSBCTSL
SCHEMBL1091158 0.91 TGM2 (0.93) TGM2CTSSCTSKCTSBCTSL
SCHEMBL1091157 0.91 TGM2 (0.93) TGM2CTSSCTSKCTSBCTSL
SCHEMBL1091124 0.91 TGM2 (0.93) TGM2CTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511607-A 2007-05-10 JP claimed
EP-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 EP claimed
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 WO claimed
US-20080233102-A1 Drug Therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-09-25 US disclosed
EP-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 EP disclosed
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 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-20080233102-A1 Drug Therapy for Celiac Sprue SI, DNPEP, SPINT2 TGM2 13/4885CTSS 163/4885CTSK 184/4885

“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.