SCHEMBL3510048

SCHEMBL3510048

NC(=O)CC(NC(=O)CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
ITGAL P20701 2/20 0.46
CA2 P00918 6/20 0.44
CA1 P00915 4/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
TGFBR1 P36897 1/20 0.44
CA4 P22748 1/20 0.43
MME P08473 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL3510050 1.00 ECE1 (0.50) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL30052291 0.83 ECE1 (0.50) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL7184807 0.83 ECE1 (0.50) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL16401 0.83 ECE1 (0.50) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL29203958 0.83 CA2 (0.60) CA2CA1CA4MME
SCHEMBL29238597 0.83 CA2 (0.60) CA2CA1CA4MME
SCHEMBL28895692 0.83 CA2 (0.60) CA2CA1CA4MME
SCHEMBL3049100 0.82 MEN1 (0.49) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL4182303 0.82 ECE1 (0.53) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL4182306 0.82 ECE1 (0.53) ECE1MEN1KMT2AITGB2ICAM1

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
US-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-02 US disclosed
US-7531181-B2 Gp120 specific antigens and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-05-12 US disclosed
WO-2008066816-A2 DERIVATIZATION OR LIGATON OF PEPTIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-05 WO disclosed
US-20070237785-A1 MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE, VACCINE COMPRISING THE SAME AND USE THEREOF INSTITUT PASTEUR (FR) 2007-10-11 US disclosed
US-20060229432-A1 Gp120 specific antigens and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2006-10-12 US disclosed
US-20040058859-A1 Multiple antigen glycopeptide carbohydrate vaccine comprising the same and use thereof INSTITUT PASTEUR 2004-03-25 US disclosed
US-6676946-B2 DENDRIMERIC POLYLYSINE HAVING BONDED EPITOPES; CANCER IMMUNO-THERAPY INSTITUT PASTEUR (FR) 2004-01-13 US disclosed
US-20030157115-A1 MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE VACCINE COMPRISING THE SAME AND USE THEREOF INSTITUTE PASTEUR (FR) 2003-08-21 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 (5 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-20040058859-A1 Multiple antigen glycopeptide carbohydrate vaccine comprising the same and use thereof CD4, SIGLEC7, CD2 ECE1 2971/4885MEN1 2005/4885KMT2A 602/4885
US-20030157115-A1 MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE VACCINE COMPRISING THE SAME AND USE THEREOF CD4, SIGLEC7, CD2 ECE1 2886/4885MEN1 1978/4885KMT2A 544/4885
US-20070237785-A1 MULTIPLE ANTIGEN GLYCOPEPTIDE CARBOHYDRATE, VACCINE COMPRISING THE SAME AND USE THEREOF KLK3, SIGLEC7, LGALS3BP ECE1 2861/4885MEN1 803/4885KMT2A 963/4885
US-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES PTMS, STT3A, GCG ECE1 1699/4885MEN1 1820/4885KMT2A 3803/4885
US-20060229432-A1 Gp120 specific antigens and uses thereof CD4, CD14, FCGRT ECE1 1023/4885MEN1 4317/4885KMT2A 1996/4885

“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.