SCHEMBL4652252

SCHEMBL4652252

COC(=O)CN.O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.62
ITGA2B P08514 7/20 0.62
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
CTSL P07711 3/20 0.58
CTSB P07858 2/20 0.58
CTSS P25774 2/20 0.58
CTSK P43235 2/20 0.58
TACR1 P25103 2/20 0.56
ITGA4 P13612 1/20 0.56
ITGB7 P26010 1/20 0.56

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
Glycine SCHEMBL5719481 0.90 ITGB3 (0.67) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL219151 0.88 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL26661077 0.88 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL479010 0.88 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL7372270 0.88 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL220648 0.88 TACR1 (0.68) ITGB3ITGA2BALDH1A1ALOX15CTSL
Glycine SCHEMBL7320734 0.86 ITGB3 (0.61) ITGB3ITGA2BALDH1A1ALOX15CTSL
Glycine SCHEMBL7316336 0.86 ITGB3 (0.61) ITGB3ITGA2BALDH1A1ALOX15CTSL
Hypochlorous Acid SCHEMBL7368156 0.85 TACR1 (0.65) ITGB3ITGA2BALDH1A1ALOX15CTSL
SCHEMBL2576567 0.84 ALDH1A1 (0.65) ITGB3ITGA2BALDH1A1ALOX15CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 EP disclosed
US-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 US disclosed
EP-1408986-A4 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2006-01-11 EP disclosed
US-20050215563-A1 Proteomimetic compounds and methods YALE UNIVERSITY 2005-09-29 US disclosed
US-6858600-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2005-02-22 US disclosed
EP-1408986-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2004-04-21 EP disclosed
US-20030008882-A1 Proteomimetic compounds and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 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 (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-20030008882-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 ITGB3 3716/4885ITGA2B 3962/4885ALDH1A1 4826/4885
US-20050215563-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 ITGB3 3716/4885ITGA2B 3962/4885ALDH1A1 4826/4885

“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.